SCOPUS 정보 검색 플랫폼

Journal of Computational Chemistry

Volumn 23, Issue 13, 2002, Pages 1244-1253

Accelerated Poisson-Boltzmann calculations for static and dynamic systems

(3) Luo, Ray a David, Laurent b Gilson, Michael K c

a UNIVERSITY OF CALIFORNIA (United States)

b ASTRAZENECA R AND D (Sweden)

c UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (United States)

Author keywords

Finite difference Poisson Boltzmann; Modified incomplete Cholsky conjugate gradient; Molecular dynamics

Indexed keywords

ALGORITHMS; CONFORMATIONS; ELECTROSTATICS; FINITE DIFFERENCE METHOD; LINEAR EQUATIONS; POISSON EQUATION;

COMPUTATIONAL CHEMISTRY; ELECTROSTATIC FOCUSING; ELECTROSTATIC INTERACTIONS; ELECTROSTATIC THEORY; MOLECULAR MECHANICS FORCE FIELD; POISSON-BOLTZMANN CALCULATIONS;

MOLECULAR DYNAMICS;

PROTEIN; PROTEINASE;

ALGORITHM; ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; ELECTRICITY; KINETICS; POISSON DISTRIBUTION;

ALGORITHMS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; ELECTROSTATICS; HIV PROTEASE; KINETICS; MODELS, MOLECULAR; POISSON DISTRIBUTION; PROTEINS;

EID: 0036771626 PISSN: 01928651 EISSN: None Source Type: Journal
DOI: 10.1002/jcc.10120 Document Type: Article

Times cited : (447)

References (90)

1
- 0028947257
- (1995) Proteins Struct Funct Genet , vol.21 , pp. 167
- Bryngelson, J.D.¹ Onuchic, J.N.² Socci, N.D.³ Wolynes, P.G.⁴

2
- 0028949547
- (1995) Curr Opin Curr Biol , vol.5 , pp. 58
- Karplus, M.¹ Sali, A.²

3
- 85069409392
- (1995) Nat Struct Biol , vol.5 , pp. 58
- Dill, K.A.¹ Chan, H.S.²

4
- 0031059496
- (1997) Curr Opin Struct Biol , vol.7 , pp. 29
- Shakhnovich, E.I.¹

5
- 0034646218
- Proc Natl Acad Sci USA 2000 , pp. 2544
- Klimov, D.K.¹ Thirumalai, D.²

6
- 0029016182
- (1995) Science , vol.268 , pp. 1144
- Honig, B.¹ Nicholls, A.²

7
- 33751385054
- (1993) J Phys Chem , vol.97 , pp. 1101
- Honig, B.¹ Sharp, K.² Yang, A.-S.³

8
- 0021813940
- (1985) J Mol Biol , vol.183 , pp. 503
- Gilson, M.K.¹ Rashin, A.A.² Fine, R.³ Honig, B.⁴

9
- 0023899747
- (1988) Proteins Struct Funct Genet , vol.3 , pp. 32
- Gilson, M.K.¹ Honig, B.²

10
- 0023779259
- (1988) Proteins Struct Funct Genet , vol.4 , pp. 7
- Gilson, M.K.¹ Honig, B.²

11
- 0020475509
- (1982) J Mol Biol , vol.157 , pp. 671
- Warwicker, J.¹ Watson, H.C.²

12
- 0022964504
- (1986) Proteins Struct Funct Genet , vol.1 , pp. 47
- Klapper, I.¹ Hagstrom, R.² Fine, R.³ Sharp, K.⁴ Honig, B.⁵

13
- 84988087911
- (1988) J Comp Chem , vol.9 , pp. 327
- Gilson, M.K.¹ Sharp, K.A.² Honig, B.H.³

14
- 0003527976
- Harper & Row: New York
- (1973) Statistical Mechanics
- McQuarrie, D.A.¹

15
- 0025283002
- (1990) Annu Rev Biophys Biophys Chem , vol.19 , pp. 301
- Sharp, K.¹ Honig, B.²

16
- 0028215767
- (1994) Curr Opin Struct Biol , vol.4 , pp. 234
- Sharp, K.¹

17
- 0029066848
- (1995) Curr Opin Struct Biol , vol.5 , pp. 216
- Gilson, M.K.¹

18
- 0005297294
- (2000) J Biomolec Struct Dyn , vol.S1 , pp. 89
- Mardis, K.¹ Luo, R.² David, L.³ Potter, M.⁴ Glemza, A.⁵ Payne, G.⁶ Gilson, M.K.⁷

19
- 0034521981
- (2000) Acc Chem Res , vol.33 , pp. 889
- Kollman, P.A.¹ Massova, I.² Reyes, C.³ Kuhn, B.⁴ Huo, S.H.⁵ Chong, L.⁶ Lee, M.⁷ Lee, T.⁸ Duan, Y.⁹ Wang, W.¹⁰ Donini, O.¹¹ Cieplak, P.¹² Srinivasan, J.¹³ Case, D.A.¹⁴ Cheatham, T.E.¹⁵

20
- 84988141840
- (1989) J Comp Chem , vol.10 , pp. 386
- Davis, M.E.¹ McCammon, J.A.²

21
- 84986486656
- (1991) J Comp Chem , vol.12 , pp. 435
- Nicholls, A.¹ Honig, B.²

22
- 0026124585
- (1991) Comput Phys Commun , vol.62 , pp. 187
- Davis, M.E.¹ Madura, J.D.² Luty, B.A.³ McCammon, J.A.⁴

23
- 0026319199
- (1991) Proteins Struct Funct Genet , vol.11 , pp. 281
- Nicholls, A.¹ Sharp, K.² Honig, B.³

24
- 11744256643
- (1994) Chem Rev , vol.94 , pp. 2027
- Tomasi, J.¹ Persico, M.²

25
- 84986465557
- (1990) J Comp Chem , vol.11 , pp. 603
- Zauhar, R.J.¹ Morgan, R.S.²

26
- 0000281387
- (1994) J Chem Phys , vol.100 , pp. 3152
- Zhou, H.-X.¹

27
- 0001445346
- (1997) J Comp Chem , vol.18 , pp. 569
- Vorobjev, Y.N.¹ Scheraga, H.A.²

28
- 0001439211
- (1997) J Comp Chem , vol.18 , pp. 1591
- Cortis, C.M.¹ Friesner, R.A.²

29
- 0000486193
- (2000) J Comp Chem , vol.21 , pp. 1319
- Holst, M.¹ Baker, N.² Wang, F.³

30
- 0000486194
- (2000) J Comp Chem , vol.21 , pp. 1343
- Baker, N.¹ Holst, M.² Wang, F.³

31
- 0000525721
- (1993) J Comp Chem , vol.14 , pp. 105
- Holst, M.¹ Saied, F.²

32
- 0035964342
- Proc Natl Acad Sci USA 2001 , vol.98 , pp. 10037
- Baker, N.A.¹ Sept, D.² Joseph, S.³ Holst, M.J.⁴ McCammon, J.A.⁵

33
- 84986524546
- (1990) J Comp Chem , vol.11 , pp. 401
- Davis, M.E.¹ McCammon, J.A.²

34
- 84986528074
- (1991) J Comp Chem , vol.12 , pp. 575
- Zauhar, R.J.¹

35
- 84986430566
- (1991) J Comp Chem , vol.12 , pp. 454
- Sharp, K.¹

36
- 84986532558
- (1992) J Comp Chem , vol.13 , pp. 768
- Luty, B.A.¹ Davis, M.E.² McCammon, J.A.³

37
- 0000921135
- (1992) Mol Simulat , vol.8 , pp. 361
- Niedermeier, C.¹ Schulten, K.²

38
- 0001585447
- (1993) J Phys Chem , vol.97 , pp. 3591
- Gilson, M.K.¹ Davis, M.E.² Luty, B.A.³ McCammon, J.A.⁴

39
- 84986439462
- (1995) J Comp Chem , vol.16 , pp. 1081
- Gilson, M.K.¹ McCammon, J.A.² Madura, J.D.³

40
- 0001318792
- (1997) J Comp Chem , vol.18 , pp. 1440
- Wan, S.Z.¹ Wang, C.X.² Xiang, Z.X.³ Shi, Y.Y.⁴

41
- 0032096837
- (1998) Comp Phys Commun , vol.111 , pp. 59
- Im, W.¹ Beglov, D.² Roux, B.³

42
- 0000779818
- (1999) J Phys Chem B , vol.103 , pp. 3057
- Friedrichs, M.¹ Zhou, R.H.² Edinger, S.R.³ Friesner, R.A.⁴

43
- 0344778061
- (1990) J Am Chem Soc , vol.112 , pp. 6127
- Still, W.C.¹ Tempczyk, A.² Hawley, R.C.³ Hendrickson, T.⁴

44
- 0000709802
- (1994) J Chem Phys , vol.100 , pp. 5149
- Davis, M.E.¹

45
- 5844259008
- (1995) Chem Phys Lett , vol.245 , pp. 371
- David, L.¹ Field, M.J.²

46
- 0031358503
- (1997) J Phys Chem , vol.101 , pp. 11226
- Luo, R.¹ Moult, J.² Gilson, M.K.³

47
- 0001205818
- (1984) Biochemistry , vol.23 , pp. 3887
- Mehler, E.L.¹ Eichele, G.²

48
- 84961981091
- (1999) Chem Rev , vol.99 , pp. 2161
- Cramer, C.J.¹ Truhlar, D.G.²

49
- 0033654297
- (2000) Annu Rev Phys Chem , vol.51 , pp. 129
- Bashford, D.¹ Case, D.A.²

50
- 0025661993
- (1990) J Mol Biol , vol.216 , pp. 1045
- Schaefer, M.¹ Froemmel, C.²

51
- 0002636134
- (1995) Chem Phys Lett , vol.246 , pp. 122
- Hawkins, G.D.¹ Cramer, C.J.² Truhlar, D.G.³

52
- 0012227656
- (1996) J Phys Chem , vol.100 , pp. 1578
- Schaefer, M.¹ Karplus, M.²

53
- 4043171970
- (1997) J Phys Chem , vol.101 , pp. 3005
- Qiu, D.¹ Shenkin, P.S.² Hollinger, F.P.³ Still, W.C.⁴

54
- 0031248940
- (1997) J Phys Chem , vol.101 , pp. 8098
- Scarsi, M.¹ Apostolakis, J.² Caflisch, A.³

55
- 0000741414
- (1998) J Chem Phys , vol.109 , pp. 1465
- Jayaram, B.¹ Liu, Y.² Beveridge, D.L.³

56
- 84961985307
- (1999) J Phys Chem B , vol.103 , pp. 3765
- Dominy, B.N.¹ Brooks, C.L.²

57
- 0034701222
- (2000) J Am Chem Soc , vol.122 , pp. 2489
- Tsui, V.¹ Case, D.A.²

58
- 0042139644
- (2000) J Comp Chem , vol.21 , pp. 295
- David, L.¹ Luo, R.² Gilson, M.K.³

59
- 0035367150
- (2001) J Mol Biol , vol.309 , pp. 507
- Mardis, K.L.¹ Luo, R.² Gilson, M.K.³

60
- 0033468737
- (1999) Theor Chem Acc , vol.101 , pp. 426
- Srinivasan, J.¹ Trevathan, M.W.² Beroza, P.³ Case, D.A.⁴

61
- 0031167555
- (1997) J Phys Chem B , vol.101 , pp. 5239
- Nina, M.¹ Beglov, D.² Roux, B.³

62
- 84961983740
- (1998) J Comp Chem , vol.20 , pp. 1482
- Smith, B.J.¹ Hall, N.E.²

63
- 32844457567
- (1994) J Phys Chem , vol.98 , pp. 1978
- Sitkoff, D.¹ Sharp, K.A.² Honig, B.³

64
- 0000831520
- (1994) J Phys Chem , vol.98 , pp. 4683
- Simonson, T.¹ Brunger, A.T.²

65
- 85050521214
- (1994) Rev Comput Chem , vol.5 , pp. 229
- Madura, J.D.¹ Davis, M.E.² Gilson, M.K.³ Wade, R.C.⁴ Luty, B.A.⁵ McCammon, J.A.⁶

66
- 0001160377
- (1984) Mol Phys , vol.52 , pp. 1487
- Edmonds, D.T.¹ Rogers, N.K.² Sternberg, M.J.E.³

67
- 84986522972
- (1991) J Comp Chem , vol.12 , pp. 909
- Davis, M.E.¹ McCammon, J.A.²

68
- 0003882610
- Springer-Verlag: New York
- (1993) Introduction to Numerical Analysis
- Stoer, J.¹ Bulirsch, R.²

69
- 0004161838
- Cambridge University Press: Cambridge
- (1989) Numerical Recipes. The Art of Scientific Computing
- Press, W.H.¹ Flannery, B.P.² Teukolsky, S.A.³ Vetterling, W.T.⁴

70
- 0003039594
- (1978) BIT , vol.18 , pp. 142
- Gustafsson, I.¹

71
- 49049148707
- (1981) J Comp Phys , vol.44 , pp. 134
- Meijerink, J.A.¹ Van Der Vorst, H.A.²

72
- 0002716985
- (1989) SIAM J Sci Comp , vol.10 , pp. 1174
- Van Der Vorst, H.A.¹

73
- 0005332034
- (1978) SIAM J Sci Comp , vol.18 , pp. 142
- Eisenstat, S.C.¹

74
- 0017429069
- (1977) Annu Rev Biophys Bioeng , vol.6 , pp. 151
- Richards, F.M.¹

75
- 0030040323
- (1996) Biopolymers , vol.38 , pp. 305
- Sanner, M.F.¹ Olson, A.J.² Spehner, J.C.³

76
- 0000747830
- (1995) J Phys Chem , vol.99 , pp. 3503
- Grant, J.A.¹ Pickup, B.T.²

77
- 84943200457
- (1988) Mol Simulat , vol.1 , pp. 173
- Van Gunsteren, W.F.¹ Berendsen, H.J.C.²

78
- 0026869597
- (1992) Biopolymers , vol.32 , pp. 523
- Loncharich, R.J.¹ Brooks, B.R.² Pastor, R.W.³

79
- 0029644939
- (1995) Structure , vol.3 , pp. 581
- Baldwin, E.T.¹ Bhat, T.N.² Gulnik, S.³ Liu, B.S.⁴ Topol, I.A.⁵ Kiso, Y.⁶ Mimoto, T.⁷ Mitsuya, H.⁸ Erickson, J.W.⁹

80
- 85069414957
- Molecular Simulations Inc. San Diego, CA
- (1998)

81
- 84986512474
- (1983) J Comp 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

82
- 0028354429
- (1994) Biochemistry , vol.33 , pp. 4721
- Gallagher, T.¹ Alexander, P.² Bryan, P.³ Gilliland, G.L.⁴

83
- 85069398906
- OpenEye Scientific Software. Santa Fe, NM
- (1999)

84
- 0032968444
- (1999) Biophys Chem , vol.78 , pp. 89
- Nina, M.¹ Im, W.² Roux, B.³

85
- 0000435390
- (1996) J Phys Chem , vol.100 , pp. 1439
- Marrone, T.J.¹ Gilson, M.K.² McCammon, J.A.³

86
- 0001611806
- (1996) J Phys Chem , vol.100 , pp. 2698
- Osapay, K.¹ Young, W.S.² Bashford, D.³ Brooks C.L. III⁴ Case, D.A.⁵

87
- 0030953142
- (1997) J Am Chem Soc , vol.119 , pp. 4964
- Bashford, D.¹ Case, D.A.² Choi, C.³ Gippert, G.P.⁴

88
- 11644251375
- (1998) J Phys Chem B , vol.102 , pp. 3637
- Scarsi, M.¹ Apostolakis, J.² Caflisch, A.³

89
- 0035281216
- (2001) J Phys Chem B , vol.105 , pp. 1863
- Mahadevan, J.¹ Lee, K.H.² Kuczera, K.³

90
- 0024665617
- (1989) Comp Phys Commun , vol.53 , pp. 223
- Van Der Vorst, H.A.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.