SCOPUS 정보 검색 플랫폼

Journal of Chemical Theory and Computation

Volumn 3, Issue 6, 2007, Pages 2083-2097

Polarizable atomic multipole solutes in a generalized Kirkwood continuum

(2) Schnieders, Michael J a Ponder, Jay W b

a WASHINGTON UNIVERSITY IN ST LOUIS (United States)

b WASHINGTON UNIVERSITY SCHOOL OF MEDICINE (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 36649037818 PISSN: 15499618 EISSN: None Source Type: Journal
DOI: 10.1021/ct7001336 Document Type: Article

Times cited : (67)

References (73)

1
- 20644431615
- Kirkwood, J. G. J. Chem. Phys. 1934, 2, 351-361.
- (1934) J. Chem. Phys , vol.2 , pp. 351-361
- Kirkwood, J.G.¹

2
- 34047168032
- Schnieders, M. J.; Baker, N. A.; Ren, P. Y.; Ponder, J. W. J. Chem. Phys. 2007, 126.
- (2007) J. Chem. Phys , vol.126
- Schnieders, M.J.¹ Baker, N.A.² Ren, P.Y.³ Ponder, J.W.⁴

3
- 0003478685
- Butterworth-Heinemann Ltd
- Flory, P. J. Statistical Mechanics Of Chain Molecules; Butterworth-Heinemann Ltd.: 1969.
- (1969) Statistical Mechanics Of Chain Molecules
- Flory, P.J.¹

4
- 34250928962
- Born, M. Z. Phys. 1920, 1, 45-48.
- (1920) Z. Phys , vol.1 , pp. 45-48
- Born, M.¹

5
- 84962376142
- Kong, Y.; Ponder, J. W. J. Chem. Phys. 1997, 107, 481-492.
- (1997) J. Chem. Phys , vol.107 , pp. 481-492
- Kong, Y.¹ Ponder, J.W.²

6
- 0012227656
- Schaefer, M.; Karplus, M. J. Phys. Chem. 1996, 100, 1578-1599.
- (1996) J. Phys. Chem , vol.100 , pp. 1578-1599
- Schaefer, M.¹ Karplus, M.²

7
- 0025661993
- Schaefer, M.; Froemmel, C. J. Mol. Biol. 1990, 216, 1045-1066.
- (1990) J. Mol. Biol , vol.216 , pp. 1045-1066
- Schaefer, M.¹ Froemmel, C.²

8
- 0002636134
- Hawkins, G. D.; Cramer, C. J.; Truhlar, D. G. Chem. Phys. Lett. 1995, 246, 122-129.
- (1995) Chem. Phys. Lett , vol.246 , pp. 122-129
- Hawkins, G.D.¹ Cramer, C.J.² Truhlar, D.G.³

9
- 33748390341
- Hawkins, G. D.; Cramer, C. J.; Truhlar, D. G. J. Phys. Chem. 1996, 100, 19824-19839.
- (1996) J. Phys. Chem , vol.100 , pp. 19824-19839
- Hawkins, G.D.¹ Cramer, C.J.² Truhlar, D.G.³

10
- 0344778061
- Still, W. C.; Tempczyk, A.; Hawley, R. C.; Hendrickson, T. J. Am. Chem. Soc. 1990, 112, 6127-6129.
- (1990) J. Am. Chem. Soc , vol.112 , pp. 6127-6129
- Still, W.C.¹ Tempczyk, A.² Hawley, R.C.³ Hendrickson, T.⁴

11
- 4043171970
- Qiu, D.; Shenkin, P. S.; Hollinger, F. P.; Still, W. C. J. Phys. Chem. A 1997, 101, 3005-3014.
- (1997) J. Phys. Chem. A , vol.101 , pp. 3005-3014
- Qiu, D.¹ Shenkin, P.S.² Hollinger, F.P.³ Still, W.C.⁴

12
- 0842333152
- Feig, M.; Im, W.; Brooks, C. L. J. Chem. Phys. 2004, 120, 903-911.
- (2004) J. Chem. Phys , vol.120 , pp. 903-911
- Feig, M.¹ Im, W.² Brooks, C.L.³

13
- 0346971105
- Feig, M.; Onufriev, A.; Lee, M. S.; Im, W.; Case, D. A.; Brooks, C. L. J. Comput. Chem. 2004, 25, 265-284.
- (2004) J. Comput. Chem , vol.25 , pp. 265-284
- Feig, M.¹ Onufriev, A.² Lee, M.S.³ Im, W.⁴ Case, D.A.⁵ Brooks, C.L.⁶

14
- 20644449471
- Onufriev, A.; Bashford, D.; Case, D. A. J. Phys. Chem. B 2000, 104, 3712-3720.
- (2000) J. Phys. Chem. B , vol.104 , pp. 3712-3720
- Onufriev, A.¹ Bashford, D.² Case, D.A.³

15
- 1842479952
- Onufriev, A.; Bashford, D.; Case, D. A. Proteins 2004, 55, 383-394.
- (2004) Proteins , vol.55 , pp. 383-394
- Onufriev, A.¹ Bashford, D.² Case, D.A.³

16
- 0037110472
- Onufriev, A.; Case, D. A.; Bashford, D. J. Comput. Chem. 2002, 23, 1297-1304.
- (2002) J. Comput. Chem , vol.23 , pp. 1297-1304
- Onufriev, A.¹ Case, D.A.² Bashford, D.³

17
- 34547139242
- Sigalov, G.; Fenley, A.; Onufriev, A. J. Chem. Phys. 2006, 124.
- (2006) J. Chem. Phys , vol.124
- Sigalov, G.¹ Fenley, A.² Onufriev, A.³

18
- 22944441922
- Sigalov, G.; Scheffel, P.; Onufriev, A. J. Chem. Phys. 2005, 122.
- (2005) J. Chem. Phys , vol.122
- Sigalov, G.¹ Scheffel, P.² Onufriev, A.³

19
- 1642464809
- Baker, N. A. Methods Enzymol. 2004, 383, 94-118.
- (2004) Methods Enzymol , vol.383 , pp. 94-118
- Baker, N.A.¹

20
- 17044392602
- Baker, N. A. Curr. Opin. Struct. Biol. 2005, 15, 137-143.
- (2005) Curr. Opin. Struct. Biol , vol.15 , pp. 137-143
- Baker, N.A.¹

21
- 0000525721
- Holst, M.; Saied, F. J. Comput. Chem. 1993, 14, 105-113.
- (1993) J. Comput. Chem , vol.14 , pp. 105-113
- Holst, M.¹ Saied, F.²

22
- 84986486656
- Nicholls, A.; Honig, B. J. Comput. Chem. 1991, 12, 435-445.
- (1991) J. Comput. Chem , vol.12 , pp. 435-445
- Nicholls, A.¹ Honig, B.²

23
- 0037157693
- Lee, M. S.; Salsbury, F. R.; Brooks, C. L. J. Chem. Phys. 2002, 116, 10606-10614.
- (2002) J. Chem. Phys , vol.116 , pp. 10606-10614
- Lee, M.S.¹ Salsbury, F.R.² Brooks, C.L.³

24
- 1942456697
- Feig, M.; Brooks, C. L., III Curr. Opin. Struct. Biol. 2004, 14, 217-24.
- (2004) Curr. Opin. Struct. Biol , vol.14 , pp. 217-224
- Feig, M.¹ Brooks III, C.L.²

25
- 0037089017
- Gallicchio, E.; Zhang, L. Y.; Levy, R. M. J. Comput. Chem. 2002, 23, 517-529.
- (2002) J. Comput. Chem , vol.23 , pp. 517-529
- Gallicchio, E.¹ Zhang, L.Y.² Levy, R.M.³

26
- 0032968133
- Roux, B.; Simonson, T. Biophys. Chem. 1999, 78, 1-20.
- (1999) Biophys. Chem , vol.78 , pp. 1-20
- Roux, B.¹ Simonson, T.²

27
- 30444431852
- Maple, J. R.; Cao, Y. X.; Damm, W. G.; Halgren, T. A.; Kaminski, G. A.; Zhang, L. Y.; Friesner, R. A. J. Chem. Theory Comput. 2005, 1, 694-715.
- (2005) J. Chem. Theory Comput , vol.1 , pp. 694-715
- Maple, J.R.¹ Cao, Y.X.² Damm, W.G.³ Halgren, T.A.⁴ Kaminski, G.A.⁵ Zhang, L.Y.⁶ Friesner, R.A.⁷

28
- 11244318120
- Jaramillo, A.; Wodak, S. J. Biophys. J. 2005, 88, 156-71.
- (2005) Biophys. J , vol.88 , pp. 156-171
- Jaramillo, A.¹ Wodak, S.J.²

29
- 17744382377
- Marshall, S. A.; Vizcarra, C. L.; Mayo, S. L. Protein Sci. 2005, 14, 1293-1304.
- (2005) Protein Sci , vol.14 , pp. 1293-1304
- Marshall, S.A.¹ Vizcarra, C.L.² Mayo, S.L.³

30
- 36649018852
- Piquemal, J. P.; Cisneros, G. A.; Reinhardt, P.; Gresh, N.; Darden, T. A. J. Chem. Phys. 2006, 124.
- (2006) J. Chem. Phys , vol.124
- Piquemal, J.P.¹ Cisneros, G.A.² Reinhardt, P.³ Gresh, N.⁴ Darden, T.A.⁵

31
- 33645845675
- Academic Press
- Friesner, R. A.; Baldwin, R. L. In Advances in Protein Chemistry; Academic Press: 2005; Vol. 72, pp 79-104.
- (2005) Advances in Protein Chemistry , vol.72 , pp. 79-104
- Friesner, R.A.¹ Baldwin, R.L.²

32
- 0242443693
- Academic Press
- Ponder, J. W.; Case, D. A. In Advances in Protein Chemistry; Academic Press: 2003; Vol. 66, pp 27-85.
- (2003) Advances in Protein Chemistry , vol.66 , pp. 27-85
- Ponder, J.W.¹ Case, D.A.²

33
- 0033654297
- Bashford, D.; Case, D. A. Annu. Rev. Phys. Chem. 2000, 51, 129-152.
- (2000) Annu. Rev. Phys. Chem , vol.51 , pp. 129-152
- Bashford, D.¹ Case, D.A.²

34
- 1442330396
- Gallicchio, E.; Levy, R. M. J. Comput. Chem. 2004, 25, 479-499.
- (2004) J. Comput. Chem , vol.25 , pp. 479-499
- Gallicchio, E.¹ Levy, R.M.²

35
- 0036890275
- Ren, P. Y.; Ponder, J. W. J. Comput. Chem. 2002, 23, 1497-1506.
- (2002) J. Comput. Chem , vol.23 , pp. 1497-1506
- Ren, P.Y.¹ Ponder, J.W.²

36
- 0037899660
- Ren, P. Y.; Ponder, J. W. J. Phys. Chem. B 2003, 107, 5933-5947.
- (2003) J. Phys. Chem. B , vol.107 , pp. 5933-5947
- Ren, P.Y.¹ Ponder, J.W.²

37
- 4444375419
- Ren, P. Y.; Ponder, J. W. J. Phys. Chem. B 2004, 108, 13427-13437.
- (2004) J. Phys. Chem. B , vol.108 , pp. 13427-13437
- Ren, P.Y.¹ Ponder, J.W.²

38
- 0141453063
- Grycuk, T. J. Chem. Phys. 2003, 119, 4817-4826.
- (2003) J. Chem. Phys , vol.119 , pp. 4817-4826
- Grycuk, T.¹

39
- 0004179874
- 3rd ed, John Wiley & Sons, Inc, New York
- Jackson, J. D. Classical Electrodynamics, 3rd ed.; John Wiley & Sons, Inc.: New York, 1998.
- (1998) Classical Electrodynamics
- Jackson, J.D.¹

40
- 0013353570
- 2nd ed, Elsevier Pub. Co, Amsterdam
- Böttcher, C. J. F. Dielectrics in Static Fields, 2nd ed.; Elsevier Pub. Co.: Amsterdam, 1993; Vol. 1.
- (1993) Dielectrics in Static Fields , vol.1
- Böttcher, C.J.F.¹

41
- 0013353570
- 1st ed, Elsevier Pub. Co, Amsterdam
- Böttcher, C. J. F. Dielectrics in Static Fields, 1st ed.; Elsevier Pub. Co.: Amsterdam, 1952; Vol. 1.
- (1952) Dielectrics in Static Fields , vol.1
- Böttcher, C.J.F.¹

42
- 0003770889
- Clarendon Press: Oxford
- Stone, A. J. The Theory of Intermolecular Forces; Clarendon Press: Oxford, 1996; Vol. 32.
- (1996) The Theory of Intermolecular Forces , vol.32
- Stone, A.J.¹

43
- 33947468892
- Tanford, C.; Kirkwood, J. G. J. Am. Chem. Soc. 1957, 79, 5333-5339.
- (1957) J. Am. Chem. Soc , vol.79 , pp. 5333-5339
- Tanford, C.¹ Kirkwood, J.G.²

44
- 34047193981
- Tjong, H.; Zhou, H. X. J. Phys. Chem. B 2007, 177, 3055-3061.
- (2007) J. Phys. Chem. B , vol.177 , pp. 3055-3061
- Tjong, H.¹ Zhou, H.X.²

45
- 0033954256
- Berman, H. M.; Westbrook, J.; Feng, Z.; Gilliland, G.; Bhat, T. N.; Weissig, H.; Shindyalov, I. N.; Bourne, P. E. Nucleic Acids Res. 2000, 28, 235-242.
- (2000) Nucleic Acids Res , vol.28 , pp. 235-242
- Berman, H.M.¹ Westbrook, J.² Feng, Z.³ Gilliland, G.⁴ Bhat, T.N.⁵ Weissig, H.⁶ Shindyalov, I.N.⁷ Bourne, P.E.⁸

46
- 0001554681
- Teeter, M. M. Proc. Natl. Acad. Sci. U.S.A. 1984, 81, 6014-6018.
- (1984) Proc. Natl. Acad. Sci. U.S.A , vol.81 , pp. 6014-6018
- Teeter, M.M.¹

47
- 0028032397
- Clarke, N. D.; Kissinger, C. R.; Desjarlais, J.; Gilliland, G. L.; Pabo, C. O. Protein Sci. 1994, 3, 1779-1787.
- (1994) Protein Sci , vol.3 , pp. 1779-1787
- Clarke, N.D.¹ Kissinger, C.R.² Desjarlais, J.³ Gilliland, G.L.⁴ Pabo, C.O.⁵

48
- 0030793767
- Dahiyat, B. I.; Mayo, S. L. Science 1997, 278, 82-87.
- (1997) Science , vol.278 , pp. 82-87
- Dahiyat, B.I.¹ Mayo, S.L.²

49
- 0028354429
- Gallagher, T.; Alexander, P.; Bryan, P.; Gilliland, G. L. Biochemistry 1994, 33, 4721-4729.
- (1994) Biochemistry , vol.33 , pp. 4721-4729
- Gallagher, T.¹ Alexander, P.² Bryan, P.³ Gilliland, G.L.⁴

50
- 0031058410
- McKnight, C. J.; Matsudaira, P. T.; Kim, P. S. Nat. Struct. Biol. 1997, 4, 180-184.
- (1997) Nat. Struct. Biol , vol.4 , pp. 180-184
- McKnight, C.J.¹ Matsudaira, P.T.² Kim, P.S.³

51
- 20544433165
- Bondi, A. J. Phys. Chem. 1964, 68, 441-451.
- (1964) J. Phys. Chem , vol.68 , pp. 441-451
- Bondi, A.¹

52
- 0003677166
- Academic Press: New York
- Young, D. M. Iterative Solutions of Large Linear Systems; Academic Press: New York, 1971.
- (1971) Iterative Solutions of Large Linear Systems
- Young, D.M.¹

53
- 0003684555
- 4.2; Saint Louis, MO
- Ponder, J. W. TINKER: Software Tools for Molecular Design, 4.2; Saint Louis, MO, 2004.
- (2004) TINKER: Software Tools for Molecular Design
- Ponder, J.W.¹

54
- 0038792211
- Lee, M. S.; Feig, M.; Salsbury, F. R.; Brooks, C. L. J. Comput. Chem. 2003, 24, 1348-1356.
- (2003) J. Comput. Chem , vol.24 , pp. 1348-1356
- Lee, M.S.¹ Feig, M.² Salsbury, F.R.³ Brooks, C.L.⁴

55
- 27744498365
- Vizcarra, C. L.; Mayo, S. L. Curr. Opin. Chem. Biol. 2005, 9, 622-6.
- (2005) Curr. Opin. Chem. Biol , vol.9 , pp. 622-626
- Vizcarra, C.L.¹ Mayo, S.L.²

56
- 7044260905
- Jorgensen, W. L.; Ulmschneider, J. P.; Tirado-Rives, J. J. Phys. Chem. B 2004, 108, 16264-16270.
- (2004) J. Phys. Chem. B , vol.108 , pp. 16264-16270
- Jorgensen, W.L.¹ Ulmschneider, J.P.² Tirado-Rives, J.³

57
- 84961981991
- Barone, V.; Cossi, M.; Tomasi, J. J. Chem. Phys. 1997, 107, 3210-3221.
- (1997) J. Chem. Phys , vol.107 , pp. 3210-3221
- Barone, V.¹ Cossi, M.² Tomasi, J.³

58
- 0037109541
- Banavali, N. K.; Im, W.; Roux, B. J. Chem. Phys. 2002, 117, 7381-7388.
- (2002) J. Chem. Phys , vol.117 , pp. 7381-7388
- Banavali, N.K.¹ Im, W.² Roux, B.³

59
- 0034227795
- Gallicchio, E.; Kubo, M. M.; Levy, R. M. J. Phys. Chem. B 2000, 104, 6271-6285.
- (2000) J. Phys. Chem. B , vol.104 , pp. 6271-6285
- Gallicchio, E.¹ Kubo, M.M.² Levy, R.M.³

60
- 0031167555
- Nina, M.; Beglov, D.; Roux, B. J. Phys. Chem. B 1997, 101, 5239-5248.
- (1997) J. Phys. Chem. B , vol.101 , pp. 5239-5248
- Nina, M.¹ Beglov, D.² Roux, B.³

61
- 0032968444
- Nina, M.; Im, W.; Roux, B. Biophys. Chem. 1999, 78, 89-96.
- (1999) Biophys. Chem , vol.78 , pp. 89-96
- Nina, M.¹ Im, W.² Roux, B.³

62
- 0001057001
- Hawkins, G. D.; Cramer, C. J.; Truhlar, D. G. J. Phys. Chem. B 1998, 102, 3257-3271.
- (1998) G. J. Phys. Chem. B , vol.102 , pp. 3257-3271
- Hawkins, G.D.¹ Cramer, C.J.² Truhlar, D.³

63
- 84962345519
- Kelly, C. P.; Cramer, C. J.; Truhlar, D. G. J. Chem. Theory Comput. 2005, 1, 1133-1152.
- (2005) J. Chem. Theory Comput , vol.1 , pp. 1133-1152
- Kelly, C.P.¹ Cramer, C.J.² Truhlar, D.G.³

64
- 84961985844
- Rinaldi, D.; Bouchy, A.; Rivail, J. L. Theor. Chem. Acc. 2006, 116, 664-669.
- (2006) Theor. Chem. Acc , vol.116 , pp. 664-669
- Rinaldi, D.¹ Bouchy, A.² Rivail, J.L.³

65
- 84961986316
- Rinaldi, D.; Bouchy, A.; Rivail, J. L.; Dillet, V. J Chem. Phys. 2004, 120, 2343-2350.
- (2004) J Chem. Phys , vol.120 , pp. 2343-2350
- Rinaldi, D.¹ Bouchy, A.² Rivail, J.L.³ Dillet, V.⁴

66
- 0343791148
- Onsager, L. J. Am. Chem. Soc. 1936, 58, 1486-1493.
- (1936) J. Am. Chem. Soc , vol.58 , pp. 1486-1493
- Onsager, L.¹

67
- 0342394897
- Kirkwood, J. G. J. Chem. Phys. 1939, 7, 911-919.
- (1939) J. Chem. Phys , vol.7 , pp. 911-919
- Kirkwood, J.G.¹

68
- 0003570657
- 2nd ed, Oxford University Press: London
- Fröhlich, H. Theory of Dielectrics, 2nd ed.; Oxford University Press: London, 1958.
- (1958) Theory of Dielectrics
- Fröhlich, H.¹

69
- 0001458825
- Rick, S. W.; Berne, B. J. J. Am. Chem. Soc. 1994, 116, 3949-3954.
- (1994) J. Am. Chem. Soc , vol.116 , pp. 3949-3954
- Rick, S.W.¹ Berne, B.J.²

70
- 0002964094
- Challacombe, M.; Schwegler, E.; Almlof, J. Chem. Phys. Lett 1995, 241, 67-72.
- (1995) Chem. Phys. Lett , vol.241 , pp. 67-72
- Challacombe, M.¹ Schwegler, E.² Almlof, J.³

71
- 0000732350
- McMurchie, L. E.; Davidson, E. R. J. Comput. Phys. 1978, 26, 218-231.
- (1978) J. Comput. Phys , vol.26 , pp. 218-231
- McMurchie, L.E.¹ Davidson, E.R.²

72
- 2442495193
- Applequist, J. J. Phys. A: Math. Gen. 1989, 22, 4303-4330.
- (1989) J. Phys. A: Math. Gen , vol.22 , pp. 4303-4330
- Applequist, J.¹

73
- 0036110122
- Applequist, J. Theor. Chem. Acc. 2002, 107, 103-115.
- (2002) Theor. Chem. Acc , vol.107 , pp. 103-115
- Applequist, J.¹

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