SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 121, Issue 39, 1999, Pages 9182-9190

The role of polarization and charge transfer in the solvation of biomolecules

(2) Van Der Vaart, Arjan a Merz Jr , Kenneth M a

a PENNSYLVANIA STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDE; CARBONYL DERIVATIVE; COLD SHOCK PROTEIN; SOLVENT; WATER;

ARTICLE; COVALENT BOND; HYDROGEN BOND; HYDROPHILICITY; MOLECULAR INTERACTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POLARIZATION; PROTEIN INTERACTION; SOLVATION; SURFACE CHARGE; X RAY ANALYSIS;

EID: 0032833998 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja9912325 Document Type: Article

Times cited : (95)

References (56)

1
- 0004140795
- W. H. Freeman: New York
- Creighton, T. E. Proteins, structures and molecular properties; W. H. Freeman: New York, 1993.
- (1993) Proteins, Structures and Molecular Properties
- Creighton, T.E.¹

2
- 0003766353
- Springer-Verlag: Heidelberg
- Jeffrey, G. A.; Saenger, W. Hydrogen Bonding in Biological Structures; Springer-Verlag: Heidelberg, 1991.
- (1991) Hydrogen Bonding in Biological Structures
- Jeffrey, G.A.¹ Saenger, W.²

3
- 0004216330
- American Chemical Society: Washington, DC
- Smith, D. A. Modeling the Hydrogen Bond; American Chemical Society: Washington, DC, 1994; Vol. 569.
- (1994) Modeling the Hydrogen Bond , vol.569
- Smith, D.A.¹

4
- 0041684239
- Buckingham, A. D.; Fowler, P. W.; Hutson, J. M. Chem. Rev. 1988, 88, 963-988.
- (1988) Chem. Rev. , vol.88 , pp. 963-988
- Buckingham, A.D.¹ Fowler, P.W.² Hutson, J.M.³

5
- 0000656154
- Singh, U. C.; Kollman, P. A. J. Chem. Phys. 1984, 80, 353-355.
- (1984) J. Chem. Phys. , vol.80 , pp. 353-355
- Singh, U.C.¹ Kollman, P.A.²

6
- 33847088980
- Kollman, P. J. Am. Chem. Soc. 1977, 99, 4875-4894.
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 4875-4894
- Kollman, P.¹

7
- 0001659759
- Rendell, A. P. L.; Bacskay, G. B.; Hush, N. S. Chem. Phys. Lett. 1985, 117, 400-408.
- (1985) Chem. Phys. Lett. , vol.117 , pp. 400-408
- Rendell, A.P.L.¹ Bacskay, G.B.² Hush, N.S.³

8
- 0001485315
- Spackman, M. A. J. Chem. Phys. 1986, 85, 6587-6601.
- (1986) J. Chem. Phys. , vol.85 , pp. 6587-6601
- Spackman, M.A.¹

9
- 0042888163
- Pettitt, B. M.; Smith, J. C. Comput. Phys. Commun. 1995, 91, 1-344.
- (1995) Comput. Phys. Commun. , vol.91 , pp. 1-344
- Pettitt, B.M.¹ Smith, J.C.²

10
- 0041140017
- Brooks, C. L., III.; Case, D. A. Chem. Rev. 1993, 93, 2487-2502.
- (1993) Chem. Rev. , vol.93 , pp. 2487-2502
- Brooks C.L. III¹ Case, D.A.²

11
- 2142813682
- van Gunsteren, W. F.; Berendsen, H. J. C. Angew. Chem., Int. Ed. Engl. 1990, 29, 992-1023.
- (1990) Angew. Chem., Int. Ed. Engl. , vol.29 , pp. 992-1023
- Van Gunsteren, W.F.¹ Berendsen, H.J.C.²

12
- 0002647913
- Bowen, J. P.; Allinger, N. L. Rev. Comput. Chem. 1991, 2, 81-98.
- (1991) Rev. Comput. Chem. , vol.2 , pp. 81-98
- Bowen, J.P.¹ Allinger, N.L.²

13
- 0003451443
- Clarendon Press: Oxford
- Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon Press: Oxford, 1987.
- (1987) Computer Simulation of Liquids
- Allen, M.P.¹ Tildesley, D.J.²

14
- 0030197443
- Stuart, S. J.; Berne, B. J. J. Phys. Chem. 1996, 100, 11934-11943.
- (1996) J. Phys. Chem. , vol.100 , pp. 11934-11943
- Stuart, S.J.¹ Berne, B.J.²

15
- 36448999850
- Rick, S. W.; Stuart, S. J.; Berne, B. J. J. Chem. Phys. 1994, 101, 6141-6156.
- (1994) J. Chem. Phys. , vol.101 , pp. 6141-6156
- Rick, S.W.¹ Stuart, S.J.² Berne, B.J.³

16
- 11944270178
- Caldwell, J. W.; Kollman, P. A. J. Am. Chem. Soc. 1995, 117, 4177-4178.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 4177-4178
- Caldwell, J.W.¹ Kollman, P.A.²

17
- 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

18
- 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

19
- 33947091822
- Applequist, J.; Carl, J. R.; Fung, K. K. J. Am. Chem. Soc. 1972, 94, 2952-2960.
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 2952-2960
- Applequist, J.¹ Carl, J.R.² Fung, K.K.³

20
- 0000277792
- Applequist, J. J. Phys. Chem. 1993, 97, 6016-6023.
- (1993) J. Phys. Chem. , vol.97 , pp. 6016-6023
- Applequist, J.¹

21
- 0001735701
- Kuwajima, S.; Warshel, A. J. Phys. Chem. 1990, 94, 460-466.
- (1990) J. Phys. Chem. , vol.94 , pp. 460-466
- Kuwajima, S.¹ Warshel, A.²

22
- 0006632202
- Wallqvist, A.; Ahlstrom, P.; Karlstrom, G. J. Phys. Chem. 1990, 94, 1649-1656.
- (1990) J. Phys. Chem. , vol.94 , pp. 1649-1656
- Wallqvist, A.¹ Ahlstrom, P.² Karlstrom, G.³

23
- 0001513816
- New, M. H.; Berne, B. J. J. Am. Chem. Soc. 1995, 117, 7172-7179.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 7172-7179
- New, M.H.¹ Berne, B.J.²

24
- 0027125907
- Gao, J.; Xia, X. Science 1992, 258, 631-635.
- (1992) Science , vol.258 , pp. 631-635
- Gao, J.¹ Xia, X.²

25
- 0000196509
- Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6289-6271.
- (1987) J. Phys. Chem. , vol.91 , pp. 6289-16271
- Berendsen, H.J.C.¹ Grigera, J.R.² Straatsma, T.P.³

26
- 0000304948
- Tannor, D. J.; Marten, B.; Murphy, R.; Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringnalda, M.; Goddard, I., W. A.; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875-11882.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 11875-11882
- Tannor, D.J.¹ Marten, B.² Murphy, R.³ Friesner, R.A.⁴ Sitkoff, D.⁵ Nicholls, A.⁶ Ringnalda, M.⁷ Goddard, I.⁸ W, A.⁹ Honig, B.¹⁰

27
- 0033606250
- Rizzo, R. C.; Jorgensen, W. L. J. Am. Chem. Soc. 1999, 121, 4827-4836.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 4827-4836
- Rizzo, R.C.¹ Jorgensen, W.L.²

28
- 84987133653
- Kitaura, K.; Morokuma, K. Int. J. Quantum Chem. 1976, 10, 325-340.
- (1976) Int. J. Quantum Chem. , vol.10 , pp. 325-340
- Kitaura, K.¹ Morokuma, K.²

29
- 36549094737
- Reed, A. E.; Weinhold, F.; Curtiss, L. A.; Pochatko, D. J. J. Chem. Phys. 1986, 84, 5687-5705.
- (1986) J. Chem. Phys. , vol.84 , pp. 5687-5705
- Reed, A.E.¹ Weinhold, F.² Curtiss, L.A.³ Pochatko, D.J.⁴

30
- 0011083499
- Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899-926.
- (1988) Chem. Rev. , vol.88 , pp. 899-926
- Reed, A.E.¹ Curtiss, L.A.² Weinhold, F.³

31
- 30244443082
- Weinhold, F. J. Mol. Struct. 1997, 399, 181-197.
- (1997) J. Mol. Struct. , vol.399 , pp. 181-197
- Weinhold, F.¹

32
- 0000121375
- van der Vaart, A.; Merz, K. M., Jr. J. Phys. Chem. A 1999, 103, 3321-3329.
- (1999) J. Phys. Chem. A , vol.103 , pp. 3321-3329
- Van Der Vaart, A.¹ Merz K.M., Jr.²

33
- 0032503591
- Nadig, G.; van Zant, L. C.; Dixon, S. L.; Merz, K. M., Jr. J. Am. Chem. Soc. 1998, 120, 5593-5594.
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 5593-5594
- Nadig, G.¹ Van Zant, L.C.² Dixon, S.L.³ Merz K.M., Jr.⁴

34
- 0000482279
- King, B.; Weinhold, F. J. Chem. Phys. 1995, 103, 333-347.
- (1995) J. Chem. Phys. , vol.103 , pp. 333-347
- King, B.¹ Weinhold, F.²

35
- 0043144732
- Yang, W.; Lee, T.-S. J. Chem. Phys. 1995, 103, 5674-5678.
- (1995) J. Chem. Phys. , vol.103 , pp. 5674-5678
- Yang, W.¹ Lee, T.-S.²

36
- 4143104515
- Dixon, S. L.; Merz, K. M., Jr. J. Chem. Phys. 1996, 104, 6643-6649.
- (1996) J. Chem. Phys. , vol.104 , pp. 6643-6649
- Dixon, S.L.¹ Merz K.M., Jr.²

37
- 0346506503
- Dixon, S. L.; Merz, K. M., Jr. J. Chem. Phys. 1997, 107, 879-893.
- (1997) J. Chem. Phys. , vol.107 , pp. 879-893
- Dixon, S.L.¹ Merz K.M., Jr.²

38
- 0000422222
- Blake, P. R.; Park, J. B.; Adams, M. W. W.; Summers, M. F. J. Am. Chem. Soc. 1992, 114, 4931-4933.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 4931-4933
- Blake, P.R.¹ Park, J.B.² Adams, M.W.W.³ Summers, M.F.⁴

39
- 0032569220
- Dingley, A. J.; Grzesiek, S. J. Am. Chem. Soc. 1998, 120, 8293-8297.
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 8293-8297
- Dingley, A.J.¹ Grzesiek, S.²

40
- 0033014805
- Golubev, N. S.; Shenderovich, I. G.; Smirnov, S. N.; Denisov, G. S.; Limbach, H.-H. Chem. Eur. J. 1999, 5, 492-497.
- (1999) Chem. Eur. J. , vol.5 , pp. 492-497
- Golubev, N.S.¹ Shenderovich, I.G.² Smirnov, S.N.³ Denisov, G.S.⁴ Limbach, H.-H.⁵

41
- 0033599303
- Cordier, F.; Grzesiek, S. J. Am. Chem. Soc. 1999, 121, 1601-1602.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 1601-1602
- Cordier, F.¹ Grzesiek, S.²

42
- 0033620446
- Cornilescu, G.; Hu, J.-S.; Bax, A. J. Am. Chem. Soc. 1999, 121, 2949-2950.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 2949-2950
- Cornilescu, G.¹ Hu, J.-S.² Bax, A.³

43
- 0001087855
- Isaacs, E. D.; Shukla, A.; Platzman, P. M.; Hamann, D. R.; Barbiellini, B.; Tulk, C. A. Phys. Rev. Lett. 1999, 82, 600-603.
- (1999) Phys. Rev. Lett. , vol.82 , pp. 600-603
- Isaacs, E.D.¹ Shukla, A.² Platzman, P.M.³ Hamann, D.R.⁴ Barbiellini, B.⁵ Tulk, C.A.⁶

44
- 0004016501
- Jorgensen, W. L.; Chandrasekhar, J.; Madura, J.; Impey, R. W.; Klein, M. L. J. Chem. Phys. 1983, 79, 926-935.
- (1983) J. Chem. Phys. , vol.79 , pp. 926-935
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.³ Impey, R.W.⁴ Klein, M.L.⁵

45
- 0029011701
- Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M., Jr.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. J. Am. Chem. Soc. 1995, 117, 5179-5197.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 5179-5197
- Cornell, W.D.¹ Cieplak, P.² Bayly, C.I.³ Gould, I.R.⁴ Merz K.M., Jr.⁵ Ferguson, D.M.⁶ Spellmeyer, D.C.⁷ Fox, T.⁸ Caldwell, J.W.⁹ Kollman, P.A.¹⁰

46
- 84962467100
- Gogonea, V.; Merz, K. M., Jr. J. Phys. Chem. A 1999, 103, 5171-5188.
- (1999) J. Phys. Chem. A , vol.103 , pp. 5171-5188
- Gogonea, V.¹ Merz K.M., Jr.²

47
- 0842341771
- Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902-3909.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902-3909
- Dewar, M.J.S.¹ Zoebisch, E.G.² Healy, E.F.³ Stewart, J.J.P.⁴

48
- 84988129057
- Stewart, J. J. P. J. Comput. Chem. 1989, 10, 209-220.
- (1989) J. Comput. Chem. , vol.10 , pp. 209-220
- Stewart, J.J.P.¹

49
- 84988073214
- Stewart, J. J. P. J. Comput. Chem. 1989, 10, 221-264.
- (1989) J. Comput. Chem. , vol.10 , pp. 221-264
- Stewart, J.J.P.¹

50
- 0029016182
- Honig, B.; Nicholls, A. Science (Washington, DC) 1995, 268, 1144-1149.
- (1995) Science (Washington, DC) , vol.268 , pp. 1144-1149
- Honig, B.¹ Nicholls, A.²

51
- 0000958036
- Li, J.; Cramer, C. J.; Truhlar, D. G. J. Phys. Chem. A. 1998, 102, 1820-1831.
- (1998) J. Phys. Chem. A , vol.102 , pp. 1820-1831
- Li, J.¹ Cramer, C.J.² Truhlar, D.G.³

52
- 0003056547
- Csonka, G. I.; Angyan, J. G. J. Mol. Struct. 1997, 393, 31-38.
- (1997) J. Mol. Struct. , vol.393 , pp. 31-38
- Csonka, G.I.¹ Angyan, J.G.²

53
- 0033585572
- Pearl, G. M.; Zerner, M. C. J. Am. Chem. Soc. 1999, 121, 399-404.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 399-404
- Pearl, G.M.¹ Zerner, M.C.²

54
- 0344802020
- in press
- van der Vaart, A.; Merz, K. M., Jr. Int. J. Quantum Chem., 1999, in press.
- (1999) Int. J. Quantum Chem.
- Van Der Vaart, A.¹ Merz K.M., Jr.²

55
- 0000263008
- Zheng, Y. J.; Merz, K. M. Jr. J. Comput. Chem. 1992, 13, 1151-1169.
- (1992) J. Comput. Chem. , vol.13 , pp. 1151-1169
- Zheng, Y.J.¹ Merz K.M., Jr.²

56
- 0000807426
- Dannenberg, J. J. J. Mol. Struct. 1997, 401, 279-286.
- (1997) J. Mol. Struct. , vol.401 , pp. 279-286
- Dannenberg, J.J.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.