SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Chemical Reviews

Volumn 93, Issue 7, 1993, Pages 2395-2417

Free Energy Calculations: Applications to Chemical and Biochemical Phenomena

(1) Kollman, Peter a

a UNIVERSITY OF CALIFORNIA (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 7044239742 PISSN: 00092665 EISSN: 15206890 Source Type: Journal
DOI: 10.1021/cr00023a004 Document Type: Article

Times cited : (1898)

References (265)

1
- 0024578173
- Beveridge, D. L.; DiCapua, F. M. Annu. Rev. Biophys. Biophys. Chem. 1989, 18, 431.
- (1989) Annu. Rev. Biophys. Biophys. Chem. , vol.18 , pp. 431
- Beveridge, D.L.¹ DiCapua, F.M.²

2
- 0022856734
- Mezei, M.; Beveridge, D. L. Ann. N.Y. Acad. Sci. 1986, 482, 1.
- (1986) Ann. N.Y. Acad. Sci. , vol.482 , pp. 1
- Mezei, M.¹ Beveridge, D.L.²

3
- 2142813682
- Van Gunsteren, W. F.; Berendsen, H. J. C. Angew. Chem., Int. Ed. Engl. 1990, 29, 992.
- (1990) Angew. Chem., Int. Ed. Engl. , vol.29 , pp. 992
- Van Gunsteren, W.F.¹ Berendsen, H.J.C.²

4
- 0023993998
- Van Gunsteren, W. F. Protein Eng. 1988, 2, 5.
- (1988) Protein Eng. , vol.2 , pp. 5
- Van Gunsteren, W.F.¹

5
- 0000695598
- McCammon, J. A. Curr. Op. Struct. Biol. 1991, 1, 196.
- (1991) Curr. Op. Struct. Biol. , vol.1 , pp. 196
- McCammon, J.A.¹

6
- 0010234315
- Straastma, T. P.; McCammon, J. A. Annu. Rev. Phys. Chem. 1992, 43, 407.
- (1992) Annu. Rev. Phys. Chem. , vol.43 , pp. 407
- Straastma, T.P.¹ McCammon, J.A.²

7
- 0009590921
- Jorgensen, W. L. Acc. Chem. Res. 1989, 22, 184.
- (1989) Acc. Chem. Res. , vol.22 , pp. 184
- Jorgensen, W.L.¹

8
- 0000049962
- Kollman, P. A.; Merz, K. M. Acc. Chem. Res. 1990, 23, 246.
- (1990) Acc. Chem. Res. , vol.23 , pp. 246
- Kollman, P.A.¹ Merz, K.M.²

9
- 33751136719
- Reynolds, C. A.; King, P. M.; Richards, W. G. Mol. Phys. 1992, 76, 251.
- (1992) Mol. Phys. , vol.76 , pp. 251
- Reynolds, C.A.¹ King, P.M.² Richards, W.G.³

10
- 84870259200
- Richards, W. G. Pure Appl. Chem. 1993, 65, 231–234.
- (1993) Pure Appl. Chem. , vol.65 , pp. 231-234
- Richards, W.G.¹

11
- 84920316153
- Richards, W. G. Proc. R. Soc. Edinburgh Sec. B, Biol. Sci. 1992, 99, 105–111.
- (1992) Proc. R. Soc. Edinburgh Sec. B, Biol. Sci. , vol.99 , pp. 105-111
- Richards, W.G.¹

12
- 0003475941
- Eds.; Escom: Leiden
- Computer Simulation of Biomolecular Systems; Van Gunsteren, W. F., Weiner, P. K., Eds.; Escom: Leiden, 1989.
- (1989) Computer Simulation of Biomolecular Systems
- Van Gunsteren, W.F.¹ Weiner, P.K.²

13
- 0001031179
- Brooks, C. L.; Karplus, M.; Pettit, B. M. Adv. Chem. Phys. 1988, 71, 1.
- (1988) Adv. Chem. Phys. , vol.71 , pp. 1
- Brooks, C.L.¹ Karplus, M.² Pettit, B.M.³

14
- 0026556022
- Van Gunsteren, W. F.; Mark, A. E. Eur. J. Biochem. 1992, 204, 947–961.
- (1992) Eur. J. Biochem. , vol.204 , pp. 947-961
- Van Gunsteren, W.F.¹ Mark, A.E.²

15
- 0002446568
- Warshel, A.; Aqvist, J. Chem. Scr. 1989, 29A, 75–83.
- (1989) Chem. Scr. , vol.29 A , pp. 75-83
- Warshel, A.¹ Aqvist, J.²

16
- 0003461132
- Wiley-Interscience: New York
- Warshel, A. Computer Modeling of Chemical Reactions in Emymes and Solutions; Wiley-Interscience: New York, 1991.
- (1991) Computer Modeling of Chemical Reactions in Emymes and Solutions
- Warshel, A.¹

17
- 0004504539
- Jorgensen, W.; Ravimohan, C. J. Chem. Phys. 1985, 83, 3050.
- (1985) J. Chem. Phys. , vol.83 , pp. 3050
- Jorgensen, W.¹ Ravimohan, C.²

18
- 85022549800
- Private communication
- Van Gunsteren, W. Private communication.
- Van Gunsteren, W.¹

19
- 0021757436
- Weiner, S. J.; Kollman, P. A.; Case, D. A.; Singh, U. C.; Ghio, C.; Alagona, G.; Profeta, S., Jr.; Weiner, P. J. Am. Chem. Soc. 1984, 106, 765.
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 765
- Weiner, S.J.¹ Kollman, P.A.² Case, D.A.³ Singh, U.C.⁴ Ghio, C.⁵ Alagona, G.⁶ Profeta, S.⁷ Weiner, P.⁸

20
- 84988053694
- Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D. A. J. Comput. Chem. 1986, 7, 230.
- (1986) J. Comput. Chem. , vol.7 , pp. 230
- Weiner, S.J.¹ Kollman, P.A.² Nguyen, D.T.³ Case, D.A.⁴

21
- 33645941402
- Jorgensen, W. L.; Tirado-Rives, J. J. Am. Chem. Soc. 1988, 110, 1657.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 1657
- Jorgensen, W.L.¹ Tirado-Rives, J.²

22
- 0003930048
- University of California: San Francisco
- Singh, U. C.; Weiner, P. K.; Caldwell, J.; Kollman, P. Amber 3.0, University of California: San Francisco, 1986.
- (1986) Amber 3.0
- Singh, U.C.¹ Weiner, P.K.² Caldwell, J.³ Kollman, P.⁴

23
- 0001661731
- Fleischman, S. H.; Brooks, C. L. J. Chem. Phys. 1987, 87, 3029.
- (1987) J. Chem. Phys. , vol.87 , pp. 3029
- Fleischman, S.H.¹ Brooks, C.L.²

24
- 36849122972
- Zwanzig, R. J. Chem. Phys. 1954, 22, 1420.
- (1954) J. Chem. Phys. , vol.22 , pp. 1420
- Zwanzig, R.¹

25
- 33646471468
- Kirkwood, J. J. Chem. Phys. 1935, 3, 300.
- (1935) J. Chem. Phys. , vol.3 , pp. 300
- Kirkwood, J.¹

26
- 0003568278
- Berne, B., Ed.; Plenum Press: New York
- Valleau, J. P.; Torrie, G. M. In Modern Theoretical Chemistry; Berne, B., Ed.; Plenum Press: New York, 1977; Vol. 5, pp 169–194.
- (1977) Modern Theoretical Chemistry , vol.5 , pp. 169-194
- Valleau, J.P.¹ Torrie, G.M.²

27
- 0344227487
- Postma, J. P. M.; Berendsen, H. J. C.; Haak, J. R. Faraday Symp. Chem. Soc. 1982, 17, 55.
- (1982) Faraday Symp. Chem. Soc. , vol.17 , pp. 55
- Postma, J.P.M.¹ Berendsen, H.J.C.² Haak, J.R.³

28
- 0007836334
- Warshel, A. J. Phys. Chem. 1982, 86, 2218.
- (1982) J. Phys. Chem. , vol.86 , pp. 2218
- Warshel, A.¹

29
- 0021582448
- Tembe, B. L.; McCammon, J. A. Comput. Chem. 1984, 8, 281.
- (1984) Comput. Chem. , vol.8 , pp. 281
- Tembe, B.L.¹ McCammon, J.A.²

30
- 0023106632
- Bash, P. A.; Singh, U. C.; Brown, F. K.; Langridge, R.; Kollman, P. A. Science 1987, 235, 574.
- (1987) Science , vol.235 , pp. 574
- Bash, P.A.¹ Singh, U.C.² Brown, F.K.³ Langridge, R.⁴ Kollman, P.A.⁵

31
- 0023346161
- Bash, P. A.; Singh, U. C.; Langridge, R.; Kollman, P. A. Science 1987, 236, 564.
- (1987) Science , vol.236 , pp. 564
- Bash, P.A.¹ Singh, U.C.² Langridge, R.³ Kollman, P.A.⁴

32
- 0001563899
- Straatsma, T. P.; Berendsen, H. J. C. J. Chem. Phys. 1988, 89, 5876.
- (1988) J. Chem. Phys. , vol.89 , pp. 5876
- Straatsma, T.P.¹ Berendsen, H.J.C.²

33
- 0343791148
- Onsager, L. J. Am. Chem. Soc. 1936, 58, 1486.
- (1936) J. Am. Chem. Soc. , vol.58 , pp. 1486
- Onsager, L.¹

34
- 0000115003
- Lee, F. S.; Warshel, A. J. Chem. Phys. 1992, 97, 3100–3107.
- (1992) J. Chem. Phys. , vol.97 , pp. 3100-3107
- Lee, F.S.¹ Warshel, A.²

35
- 85022552363
- Saito, M. Mol. Sim. 1992, 8, 32.
- (1992) Mol. Sim. , vol.8 , pp. 32
- Saito, M.¹

36
- 85022526440
- In press
- Darden, T.; York, D.; Pederson, L. J. Chem. Phys., In press.
- J. Chem. Phys.
- Darden, T.¹ York, D.² Pederson, L.³

37
- 33645903407
- Ben-Naim, A.; Marcus, Y. J. Chem. Phys. 1984, 81, 2016.
- (1984) J. Chem. Phys. , vol.81 , pp. 2016
- Ben-Naim, A.¹ Marcus, Y.²

38
- 0000838216
- Sun, Y. X.; Spellmeyer, D.; Pearlman, D. A.; Kollman, P. J. Am. Chem. Soc. 1992, 114, 6798–6801.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 6798-6801
- Sun, Y.X.¹ Spellmeyer, D.² Pearlman, D.A.³ Kollman, P.⁴

39
- 36449005776
- Pearlman, D. A.; Kollman, P. A. J. Chem. Phys. 1991, 94, 4532–4545.
- (1991) J. Chem. Phys. , vol.94 , pp. 4532-4545
- Pearlman, D.A.¹ Kollman, P.A.²

40
- 0004300890
- University of California: San Francisco
- Pearlman, D.; Case, D.; Caldwell, J.; Singh, U. C.; Weiner, P. K.; Kollman, P. Amber 4.0; University of California: San Francisco, 1992.
- (1992) Amber 4.0
- Pearlman, D.¹ Case, D.² Caldwell, J.³ Singh, U.C.⁴ Weiner, P.K.⁵ Kollman, P.⁶

41
- 6944235692
- Hermans, J. J. Phys. Chem. 1991, 95, 9029–9032.
- (1991) J. Phys. Chem. , vol.95 , pp. 9029-9032
- Hermans, J.¹

42
- 84986468475
- Hermans, J.; Yun, R. H.; Anderson, A. G. J. Comput. Chem. 1992, 13, 429–442.
- (1992) J. Comput. Chem. , vol.13 , pp. 429-442
- Hermans, J.¹ Yun, R.H.² Anderson, A.G.³

43
- 36549097253
- Pearlman, D. A.; Kollman, P. A. J. Chem. Phys. 1989, 91, 7831–7839
- (1989) J. Chem. Phys. , vol.91 , pp. 7831-7839
- Pearlman, D.A.¹ Kollman, P.A.²

44
- 0000886606
- Wood, R. H. J. Phys. Chem. 1991, 95, 4838.
- (1991) J. Phys. Chem. , vol.95 , pp. 4838
- Wood, R.H.¹

45
- 84986512474
- Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187.
- (1983) J. Comput. Chem. , vol.4 , pp. 187
- Brooks, B.R.¹ Bruccoleri, R.E.² Olafson, B.D.³ States, D.J.⁴ Swaminathan, S.⁵ Karplus, M.⁶

46
- 0000713081
- Singh, U. C.; Brown, F. K.; Bash, P. K.; Kollman, P. A. J. Am. Chem. Soc. 1987, 109, 1609.
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 1609
- Singh, U.C.¹ Brown, F.K.² Bash, P.K.³ Kollman, P.A.⁴

47
- 84986431471
- Ferguson, D. M.; Pearlman, D. A.; Swope, W. C.; Kollman, P. A. J. Comput. Chem. 1992, 13, 362–370.
- (1992) J. Comput. Chem. , vol.13 , pp. 362-370
- Ferguson, D.M.¹ Pearlman, D.A.² Swope, W.C.³ Kollman, P.A.⁴

48
- 0025837767
- Merz, K. M.; Murcko, M. A.; Kollman, P. A. J. Am. Chem. Soc. 1991, 113, 4484–4490.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 4484-4490
- Merz, K.M.¹ Murcko, M.A.² Kollman, P.A.³

49
- 0000433021
- Pearlman, D. A.; Kollman, P. A. J. Chem. Phys. 1989, 90, 2460.
- (1989) J. Chem. Phys. , vol.90 , pp. 2460
- Pearlman, D.A.¹ Kollman, P.A.²

50
- 0024343071
- Daggett, V.; Brown, F.; Kollman, P. J. Am. Chem. Soc. 1989, 111, 8247–8256.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 8247-8256
- Daggett, V.¹ Brown, F.² Kollman, P.³

51
- 0000871204
- Straatsma, T. P.; McCammon, J. A. J. Chem. Phys. 1991, 95, 1175–1188.
- (1991) J. Chem. Phys. , vol.95 , pp. 1175-1188
- Straatsma, T.P.¹ McCammon, J.A.²

52
- 85022469426
- Ph.D. Thesis, Leiden University
- Van Helden, S. Ph.D. Thesis, Leiden University, 1991.
- (1991)
- Van Helden, S.¹

53
- 0026062935
- Mizushima, N.; Spellmeyer, D.; Hirono, S.; Pearlman, D. J. Biol. Chem. 1991, 266, 11801–11809.
- (1991) J. Biol. Chem. , vol.266 , pp. 11801-11809
- Mizushima, N.¹ Spellmeyer, D.² Hirono, S.³ Pearlman, D.⁴

54
- 0025130067
- Kuczera, K.; Gao, J.; Tidor, B.; Karplus, M. Proc. Natl. Acad. Sci. U.S.A. 1990, 87, 8481–8485.
- (1990) Proc. Natl. Acad. Sci. U.S.A. , vol.87 , pp. 8481-8485
- Kuczera, K.¹ Gao, J.² Tidor, B.³ Karplus, M.⁴

55
- 0025787845
- Prevost, M.; Wodak, S. J.; Tidor, B.; Karplus, M. Proc. Natl. Acad. Sci. U.S.A. 1991, 88, 10880–10884.
- (1991) Proc. Natl. Acad. Sci. U.S.A. , vol.88 , pp. 10880-10884
- Prevost, M.¹ Wodak, S.J.² Tidor, B.³ Karplus, M.⁴

56
- 0020160864
- Northrup, S. H.; Pear, M. R.; Lee, C.-Y.; McCammon, J. A.; Karplus, M. Proc. Natl. Acad. Sci. U.S.A. 1982, 79, 4035–4039.
- (1982) Proc. Natl. Acad. Sci. U.S.A. , vol.79 , pp. 4035-4039
- Northrup, S.H.¹ Pear, M.R.² Lee, C.-Y.³ McCammon, J.A.⁴ Karplus, M.⁵

57
- 36549099690
- Tobias, D. J.; Brooks, C. L. J. Chem. Phys. 1990, 92, 2582–92.
- (1990) J. Chem. Phys. , vol.92 , pp. 2582-2592
- Tobias, D.J.¹ Brooks, C.L.²

58
- 36549092795
- Jorgensen, W. L.; Buckner, J. K.; Boudon, S.; Tirado-Rives, J. J. Chem. Phys. 1988, 89, 3742.
- (1988) J. Chem. Phys. , vol.89 , pp. 3742
- Jorgensen, W.L.¹ Buckner, J.K.² Boudon, S.³ Tirado-Rives, J.⁴

59
- 0001766141
- Dang, L. X.; Pettitt, B. M. J. Phys. Chem. 1990, 94, 4303–4308.
- (1990) J. Phys. Chem. , vol.94 , pp. 4303-4308
- Dang, L.X.¹ Pettitt, B.M.²

60
- 85045821269
- Dang, L. X.; Rice, J. E.; Kollman, P. A. J. Chem. Phys. 1991, 93, 7528–9.
- (1991) J. Chem. Phys. , vol.93 , pp. 7528-7529
- Dang, L.X.¹ Rice, J.E.² Kollman, P.A.³

61
- 36549099461
- Tobias, D. J.; Brooks, C. L. J. Chem. Phys. 1988, 89, 5115.
- (1988) J. Chem. Phys. , vol.89 , pp. 5115
- Tobias, D.J.¹ Brooks, C.L.²

62
- 36449009704
- Lazaridis, T.; Tobias, D. J.; Brooks, C. L.; Paulaitis, M. E. J. Chem. Phys. 1991, 95, 7612–7625.
- (1991) J. Chem. Phys. , vol.95 , pp. 7612-7625
- Lazaridis, T.¹ Tobias, D.J.² Brooks, C.L.³ Paulaitis, M.E.⁴

63
- 0025767212
- Tobias, D. J.; Brooks, C. L. Biochemistry 1991, 30, 6059–6070.
- (1991) Biochemistry , vol.30 , pp. 6059-6070
- Tobias, D.J.¹ Brooks, C.L.²

64
- 0025679019
- Tobias, D. J.; Sneddon, S. F.; Brooks, C. L. J. Mol. Biol. 1990, 216, 783–796.
- (1990) J. Mol. Biol. , vol.216 , pp. 783-796
- Tobias, D.J.¹ Sneddon, S.F.² Brooks, C.L.³

65
- 0024975174
- Sneddon, S. F.; Tobias, D. J.; Brooks, C. L. J. Mol. Biol. 1989, 209, 817–820.
- (1989) J. Mol. Biol. , vol.209 , pp. 817-820
- Sneddon, S.F.¹ Tobias, D.J.² Brooks, C.L.³

66
- 0042274585
- Pearlman, D. A.; Kollman, P. A. J. Am. Chem. Soc. 1991, 113, 7167–7177.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 7167-7177
- Pearlman, D.A.¹ Kollman, P.A.²

67
- 0025327526
- Dang, L. X.; Kollman, P. A. J. Am. Chem. Soc. 1990, 112, 503–507.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 503-507
- Dang, L.X.¹ Kollman, P.A.²

68
- 0000358340
- Dang, L. X.; Kollman, P. A. J. Am. Chem. Soc. 1990, 112, 5716–5720.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 5716-5720
- Dang, L.X.¹ Kollman, P.A.²

69
- 0000764091
- Boczko, E.; Brooks, C. L. J. Phys. Chem. 1993, 97, 4509–4513.
- (1993) J. Phys. Chem. , vol.97 , pp. 4509-4513
- Boczko, E.¹ Brooks, C.L.²

70
- 84986519238
- Kumar, S.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A. J. Comput. Chem. 1992, 13, 1011–1021.
- (1992) J. Comput. Chem. , vol.13 , pp. 1011-1021
- Kumar, S.¹ Bouzida, D.² Swendsen, R.H.³ Kollman, P.A.⁴

71
- 36449004340
- Pearlman, D. A. J. Chem. Phys. 1993, 98, 8946–8957.
- (1993) J. Chem. Phys. , vol.98 , pp. 8946-8957
- Pearlman, D.A.¹

72
- 0025996871
- Yun, R. H.; Anderson, A.; Hermans, J. Protein Struct. Funct. Genet. 1991, 10, 219–228.
- (1991) Protein Struct. Funct. Genet. , vol.10 , pp. 219-228
- Yun, R.H.¹ Anderson, A.² Hermans, J.³

73
- 0026748637
- Hermans, J.; Anderson, A. G.; Yun, R. H. Biochemistry 1992, 31, 5646-5643.
- (1992) Biochemistry , vol.31
- Hermans, J.¹ Anderson, A.G.² Yun, R.H.³

74
- 0026050172
- Yun, R. H.; Hermans, J. Protein Eng. 1991, 4, 761–766.
- (1991) Protein Eng. , vol.4 , pp. 761-766
- Yun, R.H.¹ Hermans, J.²

75
- 0000777274
- Kuyper, L. F.; Hunter, N.; Ashton, D.; Merz, K. M.; Kollman, P. A. J. Phys. Chem. 1991, 95, 6661–6666.
- (1991) J. Phys. Chem. , vol.95 , pp. 6661-6666
- Kuyper, L.F.¹ Hunter, N.² Ashton, D.³ Merz, K.M.⁴ Kollman, P.A.⁵

76
- 85022548061
- Miyamoto, S.; Kollman, P. A. Proteins 1993, 16, 2626–245.
- (1993) Proteins , vol.16 , pp. 2626-2645
- Miyamoto, S.¹ Kollman, P.A.²

77
- 26044455503
- Gao, J.; Jorgensen, W. L. J. Am. Chem. Soc. 1989, 110, 4212.
- (1989) J. Am. Chem. Soc. , vol.110 , pp. 4212
- Gao, J.¹ Jorgensen, W.L.²

78
- 0001593717
- Cieplak, P.; Kollman, P. J. Comput. Chem. 1991, 12, 1232–1236.
- (1991) J. Comput. Chem. , vol.12 , pp. 1232-1236
- Cieplak, P.¹ Kollman, P.²

79
- 0000956152
- Reynolds, C. A.; Essex, J. W.; Richards, W. G. J. Am. Chem. Soc. 1992, 114, 9075–9079.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 9075-9079
- Reynolds, C.A.¹ Essex, J.W.² Richards, W.G.³

80
- 0001488197
- Reynolds, C. A.; Essex, J. W.; Richards, W. G. J. Chem. Phys. Lett. 1992, 199, 257–260.
- (1992) J. Chem. Phys. Lett. , vol.199 , pp. 257-260
- Reynolds, C.A.¹ Essex, J.W.² Richards, W.G.³

81
- 85022592775
- In press
- Bayly, C.; Cieplak, P.; Cornell, W.; Kollman, P. A. J. Phys. Chem. In press.
- J. Phys. Chem.
- Bayly, C.¹ Cieplak, P.² Cornell, W.³ Kollman, P.A.⁴

82
- 85022518820
- In press
- Cornell, W.; Cieplak, P.; Bayly, C.; Kollman, P. A. J. Am. Chem. Soc. In press.
- J. Am. Chem. Soc.
- Cornell, W.¹ Cieplak, P.² Bayly, C.³ Kollman, P.A.⁴

83
- 85022549780
- Manuscript in preparation
- Cieplak, P.; Cornell, W.; Bayly, C.; Kollman, P. A. Manuscript in preparation.
- Cieplak, P.¹ Cornell, W.² Bayly, C.³ Kollman, P.A.⁴

84
- 37049090978
- Urban, J. J.; Damewood, J. R. J. Chem. Soc., Chem. Commun. 1990, 1636.
- (1990) J. Chem. Soc., Chem. Commun. , pp. 1636
- Urban, J.J.¹ Damewood, J.R.²

85
- 0344796204
- Aqvist, J. J. Phys. Chem. 1990, 94, 8021–8024.
- (1990) J. Phys. Chem. , vol.94 , pp. 8021-8024
- Aqvist, J.¹

86
- 0001588185
- Marrone, J. J.; Merz, K. M. J. Phys. Chem. 1993, 97, 6524–6529.
- (1993) J. Phys. Chem. , vol.97 , pp. 6524-6529
- Marrone, J.J.¹ Merz, K.M.²

87
- 0012895813
- Cieplak, P.; Kollman, P. J. Chem. Phys. 1987, 86, 6393–6403.
- (1987) J. Chem. Phys. , vol.86 , pp. 6393-6403
- Cieplak, P.¹ Kollman, P.²

88
- 0001003346
- Caldwell, J.; Dang, L. X.; Kollman, P. A. J. Am. Chem. Soc. 1990, 112, 9144–9147.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 9144-9147
- Caldwell, J.¹ Dang, L.X.² Kollman, P.A.³

89
- 0000042113
- Dang, L. X.; Rice, J. E.; Caldwell, J.; Kollman, P. A. J. Am. Chem. Soc. 1991, 113, 2481–2486.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 2481-2486
- Dang, L.X.¹ Rice, J.E.² Caldwell, J.³ Kollman, P.A.⁴

90
- 0023060081
- Warshel, A.; Sussman, F.; King, G. Biochemistry 1986, 25, 8368–8372.
- (1986) Biochemistry , vol.25 , pp. 8368-8372
- Warshel, A.¹ Sussman, F.² King, G.³

91
- 0000257602
- Straatsma, T. P.; McCammon, J. A. Chem. Phys. Lett. 1990, 167, 252–254.
- (1990) Chem. Phys. Lett. , vol.167 , pp. 252-254
- Straatsma, T.P.¹ McCammon, J.A.²

92
- 0001402680
- Straatsma, T. P.; McCammon, J. A. Chem. Phys. Lett. 1991, 177, 433–440.
- (1991) Chem. Phys. Lett. , vol.177 , pp. 433-440
- Straatsma, T.P.¹ McCammon, J.A.²

93
- 85022506748
- Manuscript in preparation
- Sun, Y.; Caldwell, J.; Kollman, P. A. Manuscript in preparation.
- Sun, Y.¹ Caldwell, J.² Kollman, P.A.³

94
- 0344778061
- Still, W. C.; Tempcyzk, A.; Hawley, R. C.; Henderson, T. J. Am. Chem. Soc. 1990, 112, 6127–6129.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 6127-6129
- Still, W.C.¹ Tempcyzk, A.² Hawley, R.C.³ Henderson, T.⁴

95
- 33751385054
- Honig, B.; Sharp, K.; Yang, A. S. J. Phys. Chem. 1993, 97, 1101.
- (1993) J. Phys. Chem. , vol.97 , pp. 1101
- Honig, B.¹ Sharp, K.² Yang, A.S.³

96
- 0027013007
- Cramer, C. J.; Truhlar, D. G. J. Comput. Aided Mol. Design 1992, 6, 629–666.
- (1992) J. Comput. Aided Mol. Design , vol.6 , pp. 629-666
- Cramer, C.J.¹ Truhlar, D.G.²

97
- 0004162305
- Verkhivker, G.; Elber, R.; Nowak, W. J. Chem. Phys. 1992, 97, 7838–7841.
- (1992) J. Chem. Phys. , vol.97 , pp. 7838-7841
- Verkhivker, G.¹ Elber, R.² Nowak, W.³

98
- 36549100582
- Straatsma, T. P.; McCammon, J. A. J. Chem. Phys. 1989, 91, 3631–3637.
- (1989) J. Chem. Phys. , vol.91 , pp. 3631-3637
- Straatsma, T.P.¹ McCammon, J.A.²

99
- 0027497604
- and the crystal structure of T4 lyzozyme in the Brookhaven Protein Data Bank
- Heinz, D. W.; Baase, W. A.; Dahlquist, F. V.; Matthews, B. W. Nature 1993, 361, 561–564 and the crystal structure of T4 lyzozyme in the Brookhaven Protein Data Bank.
- (1993) Nature , vol.361 , pp. 561-564
- Heinz, D.W.¹ Baase, W.A.² Dahlquist, F.V.³ Matthews, B.W.⁴

100
- 0025788928
- Ding, J. P.; Koellner, G.; Grunert, H. P.; Saenger, W. J. Biol. Chem. 1991, 266, 15128–15134.
- (1991) J. Biol. Chem. , vol.266 , pp. 15128-15134
- Ding, J.P.¹ Koellner, G.² Grunert, H.P.³ Saenger, W.⁴

101
- 0025319621
- Hirono, S.; Kollman, P. A. J. Mol. Biol. 1990, 212, 197–209.
- (1990) J. Mol. Biol. , vol.212 , pp. 197-209
- Hirono, S.¹ Kollman, P.A.²

102
- 85022406203
- version 3.2; Yale University: New Haven
- Jorgensen, W. L. BOSS, version 3.2; Yale University: New Haven, 1992.
- (1992) BOSS
- Jorgensen, W.L.¹

103
- 0009004034
- Jorgensen, W. L.; Nguyen, T. B. J. Comput. Chem. 1993, 14, 195–205.
- (1993) J. Comput. Chem. , vol.14 , pp. 195-205
- Jorgensen, W.L.¹ Nguyen, T.B.²

104
- 0000299809
- Jorgensen, W. L.; Severance, D. L. J. Am. Chem. Soc. 1990, 112, 4768–4774.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 4768-4774
- Jorgensen, W.L.¹ Severance, D.L.²

105
- 0000728542
- Lee, F. S.; Chu, Z. T.; Warshel, A. J. Comput. Chem. 1993, 14, 161–185.
- (1993) J. Comput. Chem. , vol.14 , pp. 161-185
- Lee, F.S.¹ Chu, Z.T.² Warshel, A.³

106
- 0001473783
- Mezei, M.; Ben Naim, A. J. Chem. Phys. 1990, 92, 1359–1361.
- (1990) J. Chem. Phys. , vol.92 , pp. 1359-1361
- Mezei, M.¹ Ben Naim, A.²

107
- 0000926037
- Leach, A. R.; Kollman, P. A. J. Am. Chem. Soc. 1992, 114, 3675–3683.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 3675-3683
- Leach, A.R.¹ Kollman, P.A.²

108
- 0001523494
- Rao, B. G.; Singh, U. C. J. Am. Chem. Soc. 1991, 113, 4381–4389.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 4381-4389
- Rao, B.G.¹ Singh, U.C.²

109
- 11944275655
- Rao, B. G.; Singh, U. C. J. Am. Chem. Soc. 1990, 112, 3803–3811.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 3803-3811
- Rao, B.G.¹ Singh, U.C.²

110
- 37049070248
- Essex, J. W.; Reynolds, C. A.; Richards, W. G. J. Chem. Soc., Chem. Commun. 1989, 16, 1152–1154.
- (1989) J. Chem. Soc., Chem. Commun. , vol.16 , pp. 1152-1154
- Essex, J.W.¹ Reynolds, C.A.² Richards, W.G.³

111
- 0042943378
- Essex, J. W.; Reynolds, C. A.; Richards, W. G. J. Am. Chem. Soc. 1992, 114, 3634–3639.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 3634-3639
- Essex, J.W.¹ Reynolds, C.A.² Richards, W.G.³

112
- 0008901450
- Jorgensen, W. L.; Briggs, J. M.; Contreras, M. L. J. Phys. Chem. 1990, 94, 1683–1686.
- (1990) J. Phys. Chem. , vol.94 , pp. 1683-1686
- Jorgensen, W.L.¹ Briggs, J.M.² Contreras, M.L.³

113
- 36549099690
- Tobias, D. J.; Brooks, C. L. J. Chem. Phys. 1990, 92, 2582–2592.
- (1990) J. Chem. Phys. , vol.92 , pp. 2582-2592
- Tobias, D.J.¹ Brooks, C.L.²

114
- 0039952187
- Jorgensen, W.; Buckner, K. J. Phys. Chem. 1987, 91, 6083.
- (1987) J. Phys. Chem. , vol.91 , pp. 6083
- Jorgensen, W.¹ Buckner, K.²

115
- 0000111753
- Yu, Ha.; Pettitt, B. M.; Karplus, M. J. Am. Chem. Soc. 1991, 113, 2425–2434.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 2425-2434
- Yu, H.A.¹ Pettitt, B.M.² Karplus, M.³

116
- 0025358942
- Rame, G. L.; Lau, W. F.; Pettitt, B. M. Int. Peptide Protein Res. 1990, 35, 315–327.
- (1990) Int. Peptide Protein Res. , vol.35 , pp. 315-327
- Rame, G.L.¹ Lau, W.F.² Pettitt, B.M.³

117
- 0026016274
- Ha, S. H.; Gao, J. L.; Tidor, B.; Brady, J. W.; Karplus, J. M. J. Am. Chem. Soc. 1991, 113, 1553–1557.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 1553-1557
- Ha, S.H.¹ Gao, J.L.² Tidor, B.³ Brady, J.W.⁴ Karplus, J.M.⁵

118
- 0345142655
- Sun, Y. X.; Kollman, P. A. J. Chem. Phys. 1992, 97, 5108–5112.
- (1992) J. Chem. Phys. , vol.97 , pp. 5108-5112
- Sun, Y.X.¹ Kollman, P.A.²

119
- 33845281874
- Cieplak, P.; Bash, P.; Singh, U. C.; Kollman, P. A. J. Am. Chem. Soc. 1987, 109, 6283.
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 6283
- Cieplak, P.¹ Bash, P.² Singh, U.C.³ Kollman, P.A.⁴

120
- 0024968585
- Worth, G. A.; King, P. M.; Richards, W. G. Biochim. Biophys. Acta 1989, 993, 134–136.
- (1989) Biochim. Biophys. Acta , vol.993 , pp. 134-136
- Worth, G.A.¹ King, P.M.² Richards, W.G.³

121
- 2642691158
- Reddy, M. R.; Bacquet, R. J.; Varney, M. J. Chim. Phys. Phys-Chim. Biol. 1991, 88, 2605–2615.
- (1991) J. Chim. Phys. Phys-Chim. Biol. , vol.88 , pp. 2605-2615
- Reddy, M.R.¹ Bacquet, R.J.² Varney, M.³

122
- 33845283400
- Jorgensen, W. L.; Briggs, J. M.; Gao, J. J. Am. Chem. Soc. 1987, 109, 6857.
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 6857
- Jorgensen, W.L.¹ Briggs, J.M.² Gao, J.³

123
- 33845183931
- Jorgensen, W. L.; Briggs, J. M. J. Am. Chem. Soc. 1989, 111, 4190.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 4190
- Jorgensen, W.L.¹ Briggs, J.M.²

124
- 2542431737
- King, P. M.; Reynolds, C. A.; Richards, W. G. J. Mol. Struct. THEOCHEM. 1990, 67, 205–221.
- (1990) J. Mol. Struct. THEOCHEM. , vol.67 , pp. 205-221
- King, P.M.¹ Reynolds, C.A.² Richards, W.G.³

125
- 11944260227
- Grootenhuis, P. D. J.; Kollman, P. A.; Groenen, L. C.; Reinhoudt, D. N.; et al. J. Am. Chem. Soc. 1990, 112, 4165–4176.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 4165-4176
- Grootenhuis, P.D.J.¹ Kollman, P.A.² Groenen, L.C.³ Reinhoudt, D.N.⁴

126
- 2642713753
- Merz, K. M. J. Am. Chem. Soc. 1991, 113, 3572–3575.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 3572-3575
- Merz, K.M.¹

127
- 0000842270
- Aqvist, J. J. Phys. Chem. 1991, 95, 4587–4590.
- (1991) J. Phys. Chem. , vol.95 , pp. 4587-4590
- Aqvist, J.¹

128
- 84987142144
- Lister, S. G.; Reynolds, C. A.; Richards, W. G. Int. J. Quantum. Chem. 1992, 41, 293–310.
- (1992) Int. J. Quantum. Chem. , vol.41 , pp. 293-310
- Lister, S.G.¹ Reynolds, C.A.² Richards, W.G.³

129
- 0037944619
- Reynolds, C. A. J. Am. Chem. Soc. 1990, 112, 7545–7551.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 7545-7551
- Reynolds, C.A.¹

130
- 0001239499
- Duffy, E. M.; Severance, D. L.; Jorgensen, W. L. J. Am. Chem. Soc. 1992, 114, 7535–7542.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 7535-7542
- Duffy, E.M.¹ Severance, D.L.² Jorgensen, W.L.³

131
- 0003420550
- Debolt, S. E.; Kollman, P. A. J. Am. Chem. Soc. 1990, 112, 7515–7524.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 7515-7524
- Debolt, S.E.¹ Kollman, P.A.²

132
- 0000420301
- Luzhkov, V.; Warshel, A. J. Am. Chem. Soc. 1991, 113, 4491–4499.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 4491-4499
- Luzhkov, V.¹ Warshel, A.²

133
- 36449009619
- Vaidehi, N.; Wesolowski, T. A.; Warshel, A. J. Chem. Phys. 1992, 97, 4264–4271.
- (1992) J. Chem. Phys. , vol.97 , pp. 4264-4271
- Vaidehi, N.¹ Wesolowski, T.A.² Warshel, A.³

134
- 84986466995
- Luzhkov, V.; Warshel, A. J. Comput. Chem. 1992, 13, 199–213.
- (1992) J. Comput. Chem. , vol.13 , pp. 199-213
- Luzhkov, V.¹ Warshel, A.²

135
- 0025973269
- Aqvist, J.; Luecke, H.; Quiocho, F. A.; Warshel, A. Proc. Natl. Acad. Sci. U.S.A. 1991, 88, 2026–2030.
- (1991) Proc. Natl. Acad. Sci. U.S.A. , vol.88 , pp. 2026-2030
- Aqvist, J.¹ Luecke, H.² Quiocho, F.A.³ Warshel, A.⁴

136
- 0000456302
- Daggett, V. D.; Kollman, P. A.; Kuntz, I. D. Chem. Scr. 1989, 29A, 205.
- (1989) Chem. Scr. , vol.29 A , pp. 205
- Daggett, V.D.¹ Kollman, P.A.² Kuntz, I.D.³

137
- 0026189146
- Wade, R. C.; Mazor, M. H.; McCammon, J. A.; Quiocho, F. A. Biopolymers 1991, 31, 919–931.
- (1991) Biopolymers , vol.31 , pp. 919-931
- Wade, R.C.¹ Mazor, M.H.² McCammon, J.A.³ Quiocho, F.A.⁴

138
- 0005336155
- Wade, R. C.; Mazor, M. H.; McCammon, J. A.; Quiocho, F. A. J. Am. Chem. Soc. 1990, 112, 7057–7059.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 7057-7059
- Wade, R.C.¹ Mazor, M.H.² McCammon, J.A.³ Quiocho, F.A.⁴

139
- 0027085658
- Langen, R.; Jensen, G. M.; Jacob, U.; Stephens, P. J.; et al. J. Biol. Chem. 1992, 267, 25625–25627.
- (1992) J. Biol. Chem. , vol.267 , pp. 25625-25627
- Langen, R.¹ Jensen, G.M.² Jacob, U.³ Stephens, P.J.⁴

140
- 0022666945
- Lybrand, T. P.; McCammon, J. A.; Wipff, G. Proc. Natl. Acad. Sci. U.S.A. 1986, 83, 833–5.
- (1986) Proc. Natl. Acad. Sci. U.S.A. , vol.83 , pp. 833-835
- Lybrand, T.P.¹ McCammon, J.A.² Wipff, G.³

141
- 33845183336
- Grootenhis, P. D. J.; Kollman, P. A. J. Am. Chem. Soc. 1989, 111, 2152–8.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 2152-2158
- Grootenhis, P.D.J.¹ Kollman, P.A.²

142
- 0000958103
- Van Eerden, J.; Harkema, S.; Feil, D. J. Phys. Chem. 1988, 92, 5076–5079.
- (1988) J. Phys. Chem. , vol.92 , pp. 5076-5079
- Van Eerden, J.¹ Harkema, S.² Feil, D.³

143
- 0001223869
- Mazor, M. H.; McCammon, J. A.; Lybrand, T. P. J. Am. Chem. Soc. 1990, 112, 4411–4419.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 4411-4419
- Mazor, M.H.¹ McCammon, J.A.² Lybrand, T.P.³

144
- 0000678004
- Grootenhuis, P. D. J.; Kollman, P. A. J. Am. Chem. Soc. 1989, 111, 4046–51.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 4046-4051
- Grootenhuis, P.D.J.¹ Kollman, P.A.²

145
- 0000049664
- Miyamoto, S.; Kollman, P. A. J. Am. Chem. Soc. 1992, 114, 3668–3694.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 3668-3694
- Miyamoto, S.¹ Kollman, P.A.²

146
- 0005067574
- Jorgensen, W. L.; Boudon, S.; Nguyen, T. B. J. Am. Chem. Soc. 1989, 111, 755–757.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 755-757
- Jorgensen, W.L.¹ Boudon, S.² Nguyen, T.B.³

147
- 84555200180
- Jorgensen, W. L.; Nguyen, T. B.; Sanford, E. M.; Chao, I.; Houk, K. N.; Diederich, F. J. Am. Chem. Soc. 1992, 114, 4003–4004.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 4003-4004
- Jorgensen, W.L.¹ Nguyen, T.B.² Sanford, E.M.³ Chao, I.⁴ Houk, K.N.⁵ Diederich, F.⁶

148
- 0027510416
- Jorgensen, W.; Nguyen, T. B. Proc. Natl. Acad. Sci. U.S.A. 1993, 90, 1194–1200.
- (1993) Proc. Natl. Acad. Sci. U.S.A. , vol.90 , pp. 1194-1200
- Jorgensen, W.¹ Nguyen, T.B.²

149
- 0025283298
- Jorgensen, W. L.; Pranata, J. J. Am. Chem. Soc. 1990, 112, 2008–2010.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 2008-2010
- Jorgensen, W.L.¹ Pranata, J.²

150
- 0025728614
- Pranata, J.; Wierschke, S. G.; Jorgensen, W. L. J. Am. Chem. Soc. 1991, 113, 2810–2819.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 2810-2819
- Pranata, J.¹ Wierschke, S.G.² Jorgensen, W.L.³

151
- 0026082860
- Pranata, J.; Jorgensen, W. L. Tetrahedron 1991, 47, 2491–2501.
- (1991) Tetrahedron , vol.47 , pp. 2491-2501
- Pranata, J.¹ Jorgensen, W.L.²

152
- 0000346370
- Jorgensen, W. L.; Severance, D. L. J. Am. Chem. Soc. 1991, 113, 209–216.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 209-216
- Jorgensen, W.L.¹ Severance, D.L.²

153
- 0025187325
- Blake, J. F.; Jorgensen, W. L. J. Am. Chem. Soc. 1990, 112, 7269–7278.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 7269-7278
- Blake, J.F.¹ Jorgensen, W.L.²

154
- 0008324865
- Lopez, M. A.; Kollman, P. A. J. Am. Chem. Soc. 1989, 111, 6212–6222.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 6212-6222
- Lopez, M.A.¹ Kollman, P.A.²

155
- 0343738901
- Cannon, W. R.; Madura, J. D.; Thummel, R. P.; McCammon, J. A. J. Am. Chem. Soc. 1993, 115, 879–884.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 879-884
- Cannon, W.R.¹ Madura, J.D.² Thummel, R.P.³ McCammon, J.A.⁴

156
- 0007886899
- Matsui, T.; Jorgensen, W. L. J. Am. Chem. Soc. 1992, 114, 3220–3226.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 3220-3226
- Matsui, T.¹ Jorgensen, W.L.²

157
- 0026781725
- Marrone, T. J.; Merz, K. M. J. Am. Chem. Soc. 1992, 114, 7542–7549.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 7542-7549
- Marrone, T.J.¹ Merz, K.M.²

158
- 0008129535
- Eisenman, G.; Alvarez, O.; Aqvist, J. J. Inclusion Phenom. Mol. Recognit. Chem. 1992, 12, 23–53.
- (1992) J. Inclusion Phenom. Mol. Recognit. Chem. , vol.12 , pp. 23-53
- Eisenman, G.¹ Alvarez, O.² Aqvist, J.³

159
- 0008133968
- Eisenman, G.; Aqvist, J.; Alvarez, O. J. Chem. Soc., Faraday Trans. 1991, 87, 2099–2109.
- (1991) J. Chem. Soc., Faraday Trans. , vol.87 , pp. 2099-2109
- Eisenman, G.¹ Aqvist, J.² Alvarez, O.³

160
- 0343619924
- Aqvist, J.; Alvarez, O.; Eisenman, G. J. Phys. Chem. 1992, 96, 10019–10025.
- (1992) J. Phys. Chem. , vol.96 , pp. 10019-10025
- Aqvist, J.¹ Alvarez, O.² Eisenman, G.³

161
- 0024307719
- Aqvist, J.; Warshel, A. Biophys. J. 1989, 56, 171–182.
- (1989) Biophys. J. , vol.56 , pp. 171-182
- Aqvist, J.¹ Warshel, A.²

162
- 0025882246
- Roux, B.; Karplus, M. Biophys. J. 1991, 59, 961–981.
- (1991) Biophys. J. , vol.59 , pp. 961-981
- Roux, B.¹ Karplus, M.²

163
- 0027232024
- Roux, B.; Karplus, J. M. J. Am. Chem. Soc. 1993, 115, 3250–3262.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 3250-3262
- Roux, B.¹ Karplus, J.M.²

164
- 33845277848
- Cieplak, P.; Kollman, P. A. J. Am. Chem. Soc. 1988, 110, 3734–9.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 3734-3739
- Cieplak, P.¹ Kollman, P.A.²

165
- 85005687495
- Hermans, J.; Shankar, S. Isr. J. Chem. 1986, 27, 225–227.
- (1986) Isr. J. Chem. , vol.27 , pp. 225-227
- Hermans, J.¹ Shankar, S.²

166
- 0026035371
- Merz, K. M. J. Am. Chem. Soc. 1991, 113, 406–411.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 406-411
- Merz, K.M.¹

167
- 85008259087
- Lee, F. S.; Chu, Z. T.; Bolger, M. B.; Warshel, A. Protein Eng. 1992, 5, 215–228.
- (1992) Protein Eng. , vol.5 , pp. 215-228
- Lee, F.S.¹ Chu, Z.T.² Bolger, M.B.³ Warshel, A.⁴

168
- 0000939663
- Van Eerden, J.; Briels, W. J.; Harkema, S.; Feil, D. Chem. Phys. Lett. 1989, 164, 370–376.
- (1989) Chem. Phys. Lett. , vol.164 , pp. 370-376
- Van Eerden, J.¹ Briels, W.J.² Harkema, S.³ Feil, D.⁴

169
- 0000891865
- Dang, L. X.; Pettitt, B. M.; Rossky, P. J. J. Chem. Phys. 1992, 96, 4046–4047.
- (1992) J. Chem. Phys. , vol.96 , pp. 4046-4047
- Dang, L.X.¹ Pettitt, B.M.² Rossky, P.J.³

170
- 0000103283
- Boudon, B.; Wipff, G.; Maigret, B. J. Phys. Chem. 1990, 94, 6056.
- (1990) J. Phys. Chem. , vol.94 , pp. 6056
- Boudon, B.¹ Wipff, G.² Maigret, B.³

171
- 0001486087
- Wong, C. F.; McCammon, J. A. J. Am. Chem. Soc. 1986, 108, 3830-3032.
- (1986) J. Am. Chem. Soc. , vol.108
- Wong, C.F.¹ McCammon, J.A.²

172
- 0024365686
- Merz, K. M.; Kollman, P. A. J. Am. Chem. Soc. 1989, 111, 5649–5658.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 5649-5658
- Merz, K.M.¹ Kollman, P.A.²

173
- 0026093346
- Morgan, B. P.; Scholtz, J. M.; Ballinger, M. D.; Zipkin, I. D.; Bartlett, P. A. J. Am. Chem. Soc. 1991, 113, 297–307.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 297-307
- Morgan, B.P.¹ Scholtz, J.M.² Ballinger, M.D.³ Zipkin, I.D.⁴ Bartlett, P.A.⁵

174
- 37049083401
- Menziani, M. C.; Reynolds, C. A.; Richards, W. G. J. Chem. Soc., Chem. Commun. 1989, 853–855.
- (1989) J. Chem. Soc., Chem. Commun. , pp. 853-855
- Menziani, M.C.¹ Reynolds, C.A.² Richards, W.G.³

175
- 0001067597
- Hoops, S. C.; Anderson, K. W.; Merz, K. M. J. Am. Chem. Soc. 1991, 113, 8262–8270.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 8262-8270
- Hoops, S.C.¹ Anderson, K.W.² Merz, K.M.³

176
- 0025871101
- Rao, B. G.; Singh, U. C. J. Am. Chem. Soc. 1991, 113, 6735–6750.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 6735-6750
- Rao, B.G.¹ Singh, U.C.²

177
- 0025720738
- Reddy, M. R.; Viswanadhan, V. N.; Weinstein, J. N. Proc. Natl. Acad. Sci. U.S.A. 1991, 88, 10287–10291.
- (1991) Proc. Natl. Acad. Sci. U.S.A. , vol.88 , pp. 10287-10291
- Reddy, M.R.¹ Viswanadhan, V.N.² Weinstein, J.N.³

178
- 85022530216
- Paper presented at Spring, ACS meeting in Denver
- Reddy, M. R.; Kalish, V.; Palmer, C.; Tatlock, J.; Varney, M.; Wu, B. W.; Appelt, K. Paper presented at Spring, 1993, ACS meeting in Denver.
- (1993)
- Reddy, M.R.¹ Kalish, V.² Palmer, C.³ Tatlock, J.⁴ Varney, M.⁵ Wu, B.W.⁶ Appelt, K.⁷

179
- 0026717932
- Rao, B. G.; Tilton, R. F.; Singh, U. C. J. Am. Chem. Soc. 1992, 114, 4447–4452.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 4447-4452
- Rao, B.G.¹ Tilton, R.F.² Singh, U.C.³

180
- 0026047763
- Ferguson, D. M.; Radmer, R. J.; Kollman, P. A. J. Med. Chem. 1991, 34, 2654–2659.
- (1991) J. Med. Chem. , vol.34 , pp. 2654-2659
- Ferguson, D.M.¹ Radmer, R.J.² Kollman, P.A.³

181
- 0026503819
- Tropsha, A.; Hermans, J. Protein Eng. 1992, 5, 29–33.
- (1992) Protein Eng. , vol.5 , pp. 29-33
- Tropsha, A.¹ Hermans, J.²

182
- 0027615489
- Cieplak, P.; Kollman, P. J. Comput. Assisted Mol. Design 1993, 7, 291–304.
- (1993) J. Comput. Assisted Mol. Design , vol.7 , pp. 291-304
- Cieplak, P.¹ Kollman, P.²

183
- 0027082243
- Reddy, M. R.; Bacquet, R. J.; Zichi, D.; Matthews, D. A.; et al. J. Am. Chem. Soc. 1992, 114, 10117–10122.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 10117-10122
- Reddy, M.R.¹ Bacquet, R.J.² Zichi, D.³ Matthews, D.A.⁴

184
- 0008796956
- Cummins, P. L.; Ramnarayan, K.; Singh, U. C.; Gready, J. E. J. Am. Chem. Soc. 1991, 113, 8247–8256.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 8247-8256
- Cummins, P.L.¹ Ramnarayan, K.² Singh, U.C.³ Gready, J.E.⁴

185
- 0025266340
- Fleischman, S. H.; Brooks, C. L. Proteins 1990, 7, 52–61.
- (1990) Proteins , vol.7 , pp. 52-61
- Fleischman, S.H.¹ Brooks, C.L.²

186
- 0025161483
- Brooks, C. L.; Fleischman, S. H. J. Am. Chem. Soc. 1990, 112, 3307–3312.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 3307-3312
- Brooks, C.L.¹ Fleischman, S.H.²

187
- 0025907618
- McDonald, J. J.; Brooks, C. L. J. Am. Chem. Soc. 1991, 113, 2295–2301.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 2295-2301
- McDonald, J.J.¹ Brooks, C.L.²

188
- 0026532312
- McDonald, J. J.; Brooks, C. L. J. Am. Chem. Soc. 1992, 114, 2062–2072.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 2062-2072
- McDonald, J.J.¹ Brooks, C.L.²

189
- 85022558425
- Unpublished calculations at Gensia Pharmaceuticals, San Diego, CA
- Reddy, M. R. Unpublished calculations at Gensia Pharmaceuticals, San Diego, CA.
- Reddy, M.R.¹

190
- 0025756627
- Caldwell, J. W.; Agard, D. A.; Kollman, P. A. Proteins 1991, 10, 140–148.
- (1991) Proteins , vol.10 , pp. 140-148
- Caldwell, J.W.¹ Agard, D.A.² Kollman, P.A.³

191
- 0026081852
- Hirono, S.; Kollman, P. A. Protein Eng. 1991, 4, 233–243.
- (1991) Protein Eng. , vol.4 , pp. 233-243
- Hirono, S.¹ Kollman, P.A.²

192
- 0026611897
- Granzin, J.; Puraslutzke, R.; Landt, O.; Grunert, H. P.; et al. J. Mol. Biol. 1992, 225, 533–542.
- (1992) J. Mol. Biol. , vol.225 , pp. 533-542
- Granzin, J.¹ Puraslutzke, R.² Landt, O.³ Grunert, H.P.⁴

193
- 0024588901
- Weber, P. C.; Ohlendorf, D. H.; Wendeloski, J. J.; Salemne, F. R. Science 1989, 243, 85–88.
- (1989) Science , vol.243 , pp. 85-88
- Weber, P.C.¹ Ohlendorf, D.H.² Wendeloski, J.J.³ Salemne, F.R.⁴

194
- 85022523176
- In press
- Miyamoto, S.; Kollman, P. A. Proc. Natl. Acad. Sci. U.S.A. In press.
- Proc. Natl. Acad. Sci. U.S.A.
- Miyamoto, S.¹ Kollman, P.A.²

195
- 0041437424
- Hansen, L. M.; Kollman, P. A. J. Comput. Chem. 1990, 11, 994–1002.
- (1990) J. Comput. Chem. , vol.11 , pp. 994-1002
- Hansen, L.M.¹ Kollman, P.A.²

196
- 0027398949
- Wilson, D. K.; Quiocho, F. Biochemistry 1993, 32, 1689–1694.
- (1993) Biochemistry , vol.32 , pp. 1689-1694
- Wilson, D.K.¹ Quiocho, F.²

197
- 0024377366
- Lau, W. F.; Pettitt, B. M. J. Med. Chem. 1989, 32, 2542–2547.
- (1989) J. Med. Chem. , vol.32 , pp. 2542-2547
- Lau, W.F.¹ Pettitt, B.M.²

198
- 85022491234
- Submitted for publication
- Pearlman, D. A. J. Comput. Chem. Submitted for publication.
- J. Comput. Chem.
- Pearlman, D.A.¹

199
- 85022512120
- Unpublished results
- Cieplak, P.; Pearlman, D. A.; Kollman, P. A. Unpublished results.
- Cieplak, P.¹ Pearlman, D.A.² Kollman, P.A.³

200
- 84872689512
- Manuscript in preparation
- Singh, S.; Ajay.; Kollman, P.; Wemmer, D. Proc. Natl. Acad. Sci. U.S.A. Manuscript in preparation.
- Proc. Natl. Acad. Sci. U.S.A.
- Singh, S.¹ Ajay² Kollman, P.³ Wemmer, D.⁴

201
- 0023262075
- Rao, S. N.; Singh, U. C.; Bash, P. A.; Kollman, P. A. Nature 1987, 328, 551.
- (1987) Nature , vol.328 , pp. 551
- Rao, S.N.¹ Singh, U.C.² Bash, P.A.³ Kollman, P.A.⁴

202
- 0023659387
- Hwang, J. K.; Warshel, A. Biochemistry 1987, 26, 2669–2673.
- (1987) Biochemistry , vol.26 , pp. 2669-2673
- Hwang, J.K.¹ Warshel, A.²

203
- 0025231445
- Gago, F.; Richards, W. G. Mol. Pharmacol. 1990, 37, 341–346.
- (1990) Mol. Pharmacol. , vol.37 , pp. 341-346
- Gago, F.¹ Richards, W.G.²

204
- 0025308014
- Cieplak, P.; Rao, S. N.; Grootenhuis, P. D. J.; Kollman, P. A. Biopolymers 1990, 29, 717–727.
- (1990) Biopolymers , vol.29 , pp. 717-727
- Cieplak, P.¹ Rao, S.N.² Grootenhuis, P.D.J.³ Kollman, P.A.⁴

205
- 0025048105
- Karplus, M.; Petsko, G. A. Nature 1990, 347, 631–639.
- (1990) Nature , vol.347 , pp. 631-639
- Karplus, M.¹ Petsko, G.A.²

206
- 0026696688
- Wade, R. C.; McCammon, J. A. J. Mol. Biol. 1992, 225, 679–696.
- (1992) J. Mol. Biol. , vol.225 , pp. 679-696
- Wade, R.C.¹ McCammon, J.A.²

207
- 0026734185
- Wade, R. C.; McCammon, J. A. J. Mol. Biol. 1992, 225, 697–712.
- (1992) J. Mol. Biol. , vol.225 , pp. 697-712
- Wade, R.C.¹ McCammon, J.A.²

208
- 0027087345
- Komeiji, Y.; Uebayasi, M.; Someya, J.-I.; Yamato, I. Protein Eng. 1993, 5, 759–767.
- (1993) Protein Eng. , vol.5 , pp. 759-767
- Komeiji, Y.¹ Uebayasi, M.² Someya, J.-I.³ Yamato, I.⁴

209
- 0024442265
- Dang, L. X.; Merz, K. M.; Kollman, P. A. J. Am. Chem. Soc. 1989, 111, 8505–8508.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 8505-8508
- Dang, L.X.¹ Merz, K.M.² Kollman, P.A.³

210
- 85022477030
- Renogopalakrishnan, Ed.; ESCOM Press: Leiden
- Dang, L. X.; Kollman, P. A. Expanding Frontiers in Polypeptide and Protein Structural Research; Renogopalakrishnan, Ed.; ESCOM Press: Leiden, 1991.
- (1991) Expanding Frontiers in Polypeptide and Protein Structural Research
- Dang, L.X.¹ Kollman, P.A.²

211
- 0025345645
- Pearlman, D. A.; Kollman, P. A. Biopolymers 1990, 29, 1193–1209.
- (1990) Biopolymers , vol.29 , pp. 1193-1209
- Pearlman, D.A.¹ Kollman, P.A.²

212
- 0025195177
- Dang, L. X.; Pearlman, D. A.; Kollman, P. A. Proc. Natl. Acad. Sci. U.S.A. 1990, 87, 4630–4634.
- (1990) Proc. Natl. Acad. Sci. U.S.A. , vol.87 , pp. 4630-4634
- Dang, L.X.¹ Pearlman, D.A.² Kollman, P.A.³

213
- 85022507397
- In press
- Singh, S.; Pearlman, D. A.; Kollman, P. A. J. Biomol. Struct. Dyn. In press.
- J. Biomol. Struct. Dyn.
- Singh, S.¹ Pearlman, D.A.² Kollman, P.A.³

214
- 0024366963
- Ross, W. S.; Hardin, C. C.; Tinoco, I.; Rao, S. N.; et al. Biopolymers 1989, 28, 1939–1957.
- (1989) Biopolymers , vol.28 , pp. 1939-1957
- Ross, W.S.¹ Hardin, C.C.² Tinoco, I.³ Rao, S.N.⁴

215
- 0006066189
- Hausheer, F. H.; Singh, U. C.; Saxe, J. D.; Flory, J. P.; et al. J. Am. Chem. Soc. 1992, 114, 5356–5362.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 5356-5362
- Hausheer, F.H.¹ Singh, U.C.² Saxe, J.D.³ Flory, J.P.⁴

216
- 0026218501
- Ferguson, D.; Kollman, P. Antisense Res. Dev. 1991, 1, 243–254.
- (1991) Antisense Res. Dev. , vol.1 , pp. 243-254
- Ferguson, D.¹ Kollman, P.²

217
- 0026563459
- Hausheer, F. H.; Rao, B. G.; Saxe, J. D.; Singh, U. C. J. Am. Chem. Soc. 1992, 114, 3201–3206.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 3201-3206
- Hausheer, F.H.¹ Rao, B.G.² Saxe, J.D.³ Singh, U.C.⁴

218
- 0027502336
- Yamaotsu, N.; Moriguchi, I.; Kollman, P. A.; Hirono, S. Biochem. Biophys. Acta 1993, 1163, 81–88.
- (1993) Biochem. Biophys. Acta , vol.1163 , pp. 81-88
- Yamaotsu, N.¹ Moriguchi, I.² Kollman, P.A.³ Hirono, S.⁴

219
- 0027214560
- Zhang, L.; Hermans, J. Proteins 1993, 16, 384–392.
- (1993) Proteins , vol.16 , pp. 384-392
- Zhang, L.¹ Hermans, J.²

220
- 0025732376
- Tidor, B.; Karplus, M. Biochemistry 1991, 30, 3217–3228.
- (1991) Biochemistry , vol.30 , pp. 3217-3228
- Tidor, B.¹ Karplus, M.²

221
- 0027191902
- Yung-yu, S.; Mark, A.; Cun-xian, W.; Fukua, H.; Berendsen, H. J. C.; van Gunsteren, W. Protein Eng. 1993, 6, 289–295.
- (1993) Eng. , vol.6 , pp. 289-295
- Yung-yu, S.¹ Mark, A.² Cun-xian, W.³ Fukua, H.⁴ Berendsen, H.J.C.⁵ van Gunsteren, W.⁶

222
- 0342809856
- Tobias, D. J.; Brooks, C. L. J. Phys. Chem. 1992, 96, 3864–3870.
- (1992) J. Phys. Chem. , vol.96 , pp. 3864-3870
- Tobias, D.J.¹ Brooks, C.L.²

223
- 0026468018
- Tobias, D. J.; Sneddon, S. F.; Brooks, C. L. J. Mol. Biol. 1992, 227, 1244–1252.
- (1992) J. Mol. Biol. , vol.227 , pp. 1244-1252
- Tobias, D.J.¹ Sneddon, S.F.² Brooks, C.L.³

224
- 84986513644
- Field, M. J.; Bash, P. A.; Karplus, M. J. Comput. Chem. 1990, 11, 700–733.
- (1990) J. Comput. Chem. , vol.11 , pp. 700-733
- Field, M.J.¹ Bash, P.A.² Karplus, M.³

225
- 33845379042
- Chandresekhar, J.; Smith, S. F.; Jorgensen, W. L. J. Am. Chem. Soc. 1985, 107, 154–163.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 154-163
- Chandresekhar, J.¹ Smith, S.F.² Jorgensen, W.L.³

226
- 0001653096
- Blake, J. F.; Jorgensen, W. L. J. Am. Chem. Soc. 1991, 113, 7430–7432.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 7430-7432
- Blake, J.F.¹ Jorgensen, W.L.²

227
- 33845377773
- Chandesekhar, J.; Jorgensen, W. L. J. Am. Chem. Soc. 1985, 107, 2974–5.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 2974-2975
- Chandesekhar, J.¹ Jorgensen, W.L.²

228
- 84973100605
- Severance, D. L.; Jorgensen, W. L. J. Am. Chem. Soc. 1992, 114, 10966–10968.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 10966-10968
- Severance, D.L.¹ Jorgensen, W.L.²

229
- 0025743628
- Bash, P. A.; Field, M. J.; Davenport, R. C.; Petsko, G. A.; et al. Biochemistry 1991, 30, 5826–5832.
- (1991) Biochemistry , vol.30 , pp. 5826-5832
- Bash, P.A.¹ Field, M.J.² Davenport, R.C.³ Petsko, G.A.⁴

230
- 0027023534
- Karplus, M.; Evanseck, J. D.; Joseph, D.; Bash, P. A.; et al. Faraday Discuss. Chem. Soc. 1992, 93, 239–248.
- (1992) Faraday Discuss. Chem. Soc. , vol.93 , pp. 239-248
- Karplus, M.¹ Evanseck, J.D.² Joseph, D.³ Bash, P.A.⁴

231
- 84962411180
- Peng, Z.; Merz, K. M. J. Am. Chem. Soc. 1992, 114, 2733–2734.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 2733-2734
- Peng, Z.¹ Merz, K.M.²

232
- 0001243758
- Zheng, Y. J.; Merz, K. M. J. Am. Chem. Soc. 1992, 114, 10498–10507.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 10498-10507
- Zheng, Y.J.¹ Merz, K.M.²

233
- 3342936878
- Cramer, C. J.; Truhlar, D. G. Science 1992, 256, 213–217.
- (1992) Science , vol.256 , pp. 213-217
- Cramer, C.J.¹ Truhlar, D.G.²

234
- 0027125907
- Gao, J. L.; Xia, X. F. Science 1992, 258, 631–635.
- (1992) Science , vol.258 , pp. 631-635
- Gao, J.L.¹ Xia, X.F.²

235
- 0000078321
- Gao, J. J. Am. Chem. Soc. 1993, 115, 2930–2935.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 2930-2935
- Gao, J.¹

236
- 0001425665
- Gao, J.; Pavelites, J. J. J. Am. Chem. Soc. 1993, 114, 1912–1914.
- (1993) J. Am. Chem. Soc. , vol.114 , pp. 1912-1914
- Gao, J.¹ Pavelites, J.J.²

237
- 0027164926
- Gao, J.; Chou, L.; Auerbach, A. Biophys. J. 1993, 65, 43–47.
- (1993) Biophys. J. , vol.65 , pp. 43-47
- Gao, J.¹ Chou, L.² Auerbach, A.³

238
- 0024713705
- Warshel, A.; Aqvist, J.; Creighton, S. Proc. Natl. Acad. Sci. U.S.A. 1989, 86, 5820–5824.
- (1989) Proc. Natl. Acad. Sci. U.S.A. , vol.86 , pp. 5820-5824
- Warshel, A.¹ Aqvist, J.² Creighton, S.³

239
- 0025005059
- Aqvist, J.; Warshel, A. J. Am. Chem. Soc. 1990, 112, 2860–2868.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 2860-2868
- Aqvist, J.¹ Warshel, A.²

240
- 0024309235
- Aqvist, J.; Warshel, A. Biochemistry 1989, 28, 4680–4689.
- (1989) Biochemistry , vol.28 , pp. 4680-4689
- Aqvist, J.¹ Warshel, A.²

241
- 0040193886
- Hwang, J. K.; Chu, Z. T.; Yadav, A.; Warshel, A. J. Phys. Chem. 1991, 95, 8445–8448.
- (1991) J. Phys. Chem. , vol.95 , pp. 8445-8448
- Hwang, J.K.¹ Chu, Z.T.² Yadav, A.³ Warshel, A.⁴

242
- 0000561390
- Yadav, A.; Jackson, R. M.; Holbrook, J. J.; Warshel, A. J. Am. Chem. Soc. 1991, 113, 4800–4805.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 4800-4805
- Yadav, A.¹ Jackson, R.M.² Holbrook, J.J.³ Warshel, A.⁴

243
- 0026265130
- Warshel, A.; Parson, W. W. Annu. Rev. Phys. Chem. 1991, 42, 279–309.
- (1991) Annu. Rev. Phys. Chem. , vol.42 , pp. 279-309
- Warshel, A.¹ Parson, W.W.²

244
- 0000354626
- King, G.; Warshel, A. J. Chem. Phys. 1990, 93, 8682–8692.
- (1990) J. Chem. Phys. , vol.93 , pp. 8682-8692
- King, G.¹ Warshel, A.²

245
- 0026713142
- Langen, R.; Schweins, T.; Warshel, A. Biochemistry 1992, 31, 8691–8696.
- (1992) Biochemistry , vol.31 , pp. 8691-8696
- Langen, R.¹ Schweins, T.² Warshel, A.³

246
- 0001677014
- Aqvist, J.; Forgill, M.; Warshel, A. J. Am. Chem. Soc. 1993, 115, 631–635.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 631-635
- Aqvist, J.¹ Forgill, M.² Warshel, A.³

247
- 0027012925
- Warshel, A.; Hwang, J. K.; Aqvist, J. Faraday Discuss. Chem. Soc. 1992, 93, 225–238
- (1992) Faraday Discuss. Chem. Soc. , vol.93 , pp. 225-238
- Warshel, A.¹ Hwang, J.K.² Aqvist, J.³

248
- 0026504259
- Aqvist, J.; Warshel, A. J. Mol. Biol. 1992, 224, 7–14.
- (1992) J. Mol. Biol. , vol.224 , pp. 7-14
- Aqvist, J.¹ Warshel, A.²

249
- 0000068928
- Cram, D. J.; Carmack, R. A.; deGrandpre, M. P.; Lein, G. M.; Goldberg, I.; Knobler, C. B.; Maverick, E. F.; Trueblood, K. N. J. Am. Chem. Soc. 1987, 109, 7068–7073.
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 7068-7073
- Cram, D.J.¹ Carmack, R.A.² deGrandpre, M.P.³ Lein, G.M.⁴ Goldberg, I.⁵ Knobler, C.B.⁶ Maverick, E.F.⁷ Trueblood, K.N.⁸

250
- 85022489860
- Submitted for publication
- Bayly, C.; Kollman, P. J. Am. Chem. Soc. Submitted for publication.
- J. Am. Chem. Soc.
- Bayly, C.¹ Kollman, P.²

251
- 85022593842
- Unpublished results
- Thomas, B. Unpublished results.
- Thomas, B.¹

252
- 0027613969
- Gerber, P.; Mark, A.; van Gunsteren, W. J. Comput. Assisted Mol. Design 1993, 7, 305–323.
- (1993) J. Comput. Assisted Mol. Design , vol.7 , pp. 305-323
- Gerber, P.¹ Mark, A.² van Gunsteren, W.³

253
- 85022507616
- submitted for publication
- DeBolt, S.; Pearlman, D. A.; Kollman, P. A. J. Comput. Chem., submitted for publication.
- J. Comput. Chem.
- DeBolt, S.¹ Pearlman, D.A.² Kollman, P.A.³

254
- 33751385859
- Tidor, B. J. Phys. Chem. 1993, 97, 1069–1073.
- (1993) J. Phys. Chem. , vol.97 , pp. 1069-1073
- Tidor, B.¹

255
- 0000677929
- Ramnarayan, K.; Rao, B. G.; Singh, U. C. J. Chem. Phys. 1990, 92, 7057–7067.
- (1990) J. Chem. Phys. , vol.92 , pp. 7057-7067
- Ramnarayan, K.¹ Rao, B.G.² Singh, U.C.³

256
- 1542477135
- Boudon, S.; Wipff, G. J. Comput. Chem. 1991, 12, 42–51.
- (1991) J. Comput. Chem. , vol.12 , pp. 42-51
- Boudon, S.¹ Wipff, G.²

257
- 84942715137
- Lowis, D. R.; Essex, J. W.; Richards, W. G. Mol. Simul. 1993, 9, 369–383.
- (1993) Mol. Simul. , vol.9 , pp. 369-383
- Lowis, D.R.¹ Essex, J.W.² Richards, W.G.³

258
- 0040861540
- Elcock, A. H.; Richards, W. G. J. Am. Chem. Soc. 1993, 115, 7930.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 7930
- Elcock, A.H.¹ Richards, W.G.²

259
- 0001290292
- Gao, J. L. J. Am. Chem. Soc. 1993, 115, 6893–6895.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 6893-6895
- Gao, J.L.¹

260
- 0011439545
- Auffinger, P.; Wipff, G. J. Chim. Phys. 1991, 88, 2525–2534.
- (1991) J. Chim. Phys. , vol.88 , pp. 2525-2534
- Auffinger, P.¹ Wipff, G.²

261
- 0027317812
- Zacharias, M.; Straatsma, T. P.; McCammon, J. A.; Quiocho, F. A. Biochemisrty 1993, 32, 7428–7434.
- (1993) Biochemisrty , vol.32 , pp. 7428-7434
- Zacharias, M.¹ Straatsma, T.P.² McCammon, J.A.³ Quiocho, F.A.⁴

262
- 0027227315
- Prodhom, B.; Karplus, M. Protein Eng. 1993, 6, 585–592.
- (1993) Protein Eng. , vol.6 , pp. 585-592
- Prodhom, B.¹ Karplus, M.²

263
- 0027214560
- Li, Z.; Hermans, J. Proteins 1993, 16, 384–392.
- (1993) Proteins , vol.16 , pp. 384-392
- Li, Z.¹ Hermans, J.²

264
- 0027219237
- Yan, Y. B.; Tropsha, A.; Hermans, J.; Erikson, B. W. Proc. Nat. Acad. Sci. U.S.A. 1993, 90, 7898–7902.
- (1993) Proc. Nat. Acad. Sci. U.S.A. , vol.90 , pp. 7898-7902
- Yan, Y.B.¹ Tropsha, A.² Hermans, J.³ Erikson, B.W.⁴

265
- 0027481669
- van Gunsteren, W. F. Curr. Opin. Struct. Biol. 1993, 3, 277–281.
- (1993) Curr. Opin. Struct. Biol. , vol.3 , pp. 277-281
- van Gunsteren, W.F.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.