SCOPUS 정보 검색 플랫폼

Volumn 4, Issue 2, 1983, Pages 187-217

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

(6) Brooks, Bernard R a Bruccoleri, Robert E a Olafson, Barry D a,b States, David J a Swaminathan, S a Karplus, Martin a

a HARVARD UNIVERSITY (United States)

b CALIFORNIA INSTITUTE OF TECHNOLOGY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84986512474 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.540040211 Document Type: Article

Times cited : (14216)

References (100)

1
- 33947475759
- (1961) J. Am. Chem. Soc. , vol.83 , pp. 4537
- Hendrickson, J.B.¹

2
- 0014675222
- (1969) J. Mol. Biol. , vol.46 , pp. 269
- Levitt, M.¹ Lifson, S.²

3
- 0015040916
- (1971) Chem. Rev. , vol.71 , pp. 195
- Scheraga, H.A.¹

4
- 0001195079
- (1973) J. Am. Chem. Soc. , vol.95 , pp. 8005
- Engler, E.M.¹ Andose, J.D.² Schleyer³

5
- 0343614208
- Simulation of Protein Dynamics
- (1980) Annual Review of Physical Chemistry , vol.31 , pp. 29
- McCammon, J.A.¹ Karplus, M.²

6
- 84986504620
- (1980) Biophys. J. , vol.32 , pp. 628
- Karplus, M.¹ Gelin, B.R.² McCammon, J.A.³

7
- 0000127140
- (1981) Macromolecules , vol.14 , pp. 325
- Kushick, J.N.¹ Karplus, M.²

8
- 0019912345
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 270
- Olson, W.K.¹ Sussman, J.L.²

9
- 0000283628
- (1965) J. Am. Chem. Soc. , vol.87 , pp. 1070
- Wiberg, K.B.¹

10
- 0002813866
- (1970) J. Mol. Spectrosc. , vol.33 , pp. 84
- Warshel, A.¹ Levitt, M.² Lifson, S.³

11
- 33745996625
- (1976) Adv. Phys. Org. Chem. , vol.13 , pp. 1
- Allinger, N.L.¹

12
- 0000899545
- Coulombic nonbonded interatomic potential functions derived from crystal-lattice vibrational frequencies in hydrocarbons
- (1977) Acta Crystallographica Section A , vol.33 , pp. 771
- Starr, T.L.¹ Williams, D.E.²

13
- 0013678288
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 1493
- Smith, G.D.¹ Pletnev, V.Z.² Duax, W.L.³ Balasubramanian, T.M.⁴ Bossard, H.E.⁵ Czerwinski, E.W.⁶ Kendrick, N.E.⁷ Mathews, F.⁸ Marshall, G.R.⁹

14
- 84986438532
- 163
- (1981) Chem. Phys. , vol.55
- Williams, D.E.¹

15
- 51149211502
- Improved simulation of liquid water by molecular dynamics
- (1974) The Journal of Chemical Physics , vol.60 , pp. 1545
- Stillinger, F.H.¹ Rahman, A.²

16
- 84986455642
- P. Lykos, Computer Modeling of Matter, Am. Chem. Soc. Symp. Ser. 86, Am. Chem. Soc., Washington, DC
- (1978)

17
- 0000924030
- (1979) Nature , vol.282 , pp. 459
- Barnes, P.¹ Finney, J.L.² Nicholas, J.D.³ Quinn, J.E.⁴

18
- 0018456521
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 1913
- Rossky, P.J.¹ Karplus, M.²

19
- 84985666851
- A model for the simulation of an aqueous dipeptide solution
- (1979) Biopolymers , vol.18 , pp. 825
- Rossky, P.J.¹ Karplus, M.²

20
- 36749108636
- (1979) J. Chem. Phys. , vol.71 , pp. 2975
- Pangali, C.¹ Rao, M.² Berne, B.J.³

21
- 0008964009
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 5832
- Swaminathan, S.¹ Beveridge, D.L.²

22
- 36749121268
- Investigations of static properties of model bulk polymer fluids
- (1980) The Journal of Chemical Physics , vol.72 , pp. 3228
- Bishop, M.¹ Ceperley, D.² Frisch, H.L.³ Kalos, M.H.⁴

23
- 33645858780
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 335
- Jorgensen, W.L.¹

24
- 0000850121
- (1975) Proc. Nat. Acad. Sci. USA , vol.72 , pp. 2002
- Gelin, B.R.¹ Karplus, M.²

25
- 0017163950
- (1976) Nature , vol.262 , pp. 325
- McCammon, J.A.¹ Gelin, B.R.² Karplus, M.³ Wolynes, P.G.⁴

26
- 0017179193
- (1976) Proc. Nat. Acad. Sci. USA , vol.73 , pp. 1974
- Honig, B.¹ Ray, A.² Levinthal, C.³

27
- 0017776823
- (1977) Nature , vol.267 , pp. 585
- McCammon, J.A.¹ Gelin, B.R.² Karplus, M.³

28
- 0018133033
- (1978) Nature , vol.272 , pp. 222
- Hagler, A.T.¹ Moult, J.²

29
- 0019886529
- (1981) Nature , vol.293 , pp. 677
- van Gunsteren, W.F.¹ Karplus, M.²

30
- 0019763828
- (1981) Biopolymers , vol.20 , pp. 2583
- Kollman, P.A.¹ Weiner, P.K.² Dearing, A.³

31
- 0020118949
- (1982) Biopolymers , vol.21 , pp. 763
- Clementi, E.¹ Corongiu, G.²

32
- 0019923858
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 278
- Olson, W.K.¹

33
- 0020480264
- (1982) Biochemistry , vol.21 , pp. 2259
- van Gunsteren, W.F.¹ Karplus, M.²

34
- 0004316256
- (1974) “QCFF/PI”, Quantum Chemistry Program Exchange , vol.11 , pp. 247
- Warshel, A.¹ Levitt, M.²

35
- 2142712244
- (1975) “ECEPP”, Quantum Chemistry Program Exchange , vol.11 , pp. 286
- Browman, M.J.¹ Carruthers, L.M.² Kashuba, K.L.³ Momany, F.A.⁴ Pottle, M.S.⁵ Rosen, S.P.⁶ Rumsey, S.M.⁷ Endres, G.F.⁸ Scheraga, H.A.⁹

36
- 84986497004
- Ph.D. thesis, Harvard University, Cambridge, MA
- (1976)
- Gelin, B.R.¹

37
- 0010816664
- (1976) “MMI/MMPI”, Quantum Chemistry Program Exchange , vol.11 , pp. 318
- Allinger, N.L.¹

38
- 84906372731
- (1977) “MCA”, Quantum Chemistry Program Exchange , vol.11 , pp. 325
- Huler, E.¹ Sharon, R.² Warshel, A.³

39
- 0010520270
- E. Cavicchi
- (1977) Comput. Chem. , vol.1 , pp. 187
- Potenzone, R.¹ Weintraub, H.J.R.² Hopfinger, A.J.³

40
- 84990486695
- (1978) “UNICEPP”, Quantum Chemistry Program Exchange , vol.11 , pp. 361
- Browman, M.J.¹ Burgess, A.W.² Dunfield, L.G.³ Rumsey, S.M.⁴ Endres, G.F.⁵ Scheraga, H.A.⁶

41
- 0001570966
- A revised empirical potential for conformational, intermolecular, and solvation studies. 1. Evaluation of problem and description of model
- (1978) The Journal of Physical Chemistry , vol.82 , pp. 2497
- Snir, J.¹ Nemenoff, R.A.² Scheraga, H.A.³

42
- 84916828151
- (1979) “PCK5/PCK6”, Quantum Chemistry Program Exchange , vol.11 , pp. 373
- Williams, D.E.¹

43
- 84986429388
- (1981) “MM2”, Quantum Chemistry Program Exchange , vol.13 , pp. 395
- Allinger, N.L.¹ Yuh, Y.A.²

44
- 84986518863
- AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions
- (1981) Journal of Computational Chemistry , vol.2 , pp. 287
- Weiner, P.K.¹ Kollman, P.A.²

45
- 0018780591
- (1979) Biochemistry , vol.18 , pp. 1256
- Gelin, B.R.¹ Karplus, M.²

46
- 0000948942
- (1978) J. Chem. Phys. , vol.82 , pp. 2609
- Dunfield, L.G.¹ Burgess, W.² Scheraga, H.A.³

47
- 0004003691
- Dover, New York
- (1955) Molecular Vibrations
- Wilson, E.B.¹ Decius, J.C.² Cross, P.C.³

48
- 33845557894
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 341
- Jorgensen, W.L.¹

49
- 33845556138
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 345
- Jorgensen, W.L.¹

50
- 84856899929
- Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and n-Alkane Molecules
- (1968) The Journal of Chemical Physics , vol.49 , pp. 5116
- Lifson, S.¹ Warshel, A.²

51
- 34249910270
- (1970) J. Chem. Phys. , vol.53 , pp. 582
- Warshel, A.¹ Lifson, S.²

52
- 0017100947
- (1976) J. Mol. Biol. , vol.103 , pp. 227
- Warshel, A.¹ Levitt, M.²

53
- 84986478495
- Reiher, W.¹ Karplus, M.²

54
- 0346735076
- (1933) J. Chem. Phys. , vol.1 , pp. 515
- Bernal, J.D.¹ Fowler, R.H.²

55
- 84946450438
- Algorithms for macromolecular dynamics and constraint dynamics
- (1977) Molecular Physics , vol.34 , pp. 1311
- van Gunsteren, W.F.¹ Berendsen, H.J.C.²

56
- 84986469747
- Brooks, B.R.¹ Karplus, M.²

57
- 0004170360
- Cambridge University Press, London
- (1975) Thermal Vibrations in Crystallography
- Willis, B.T.¹ Pryor, A.W.²

58
- 84967173692
- Function minimization by conjugate gradients
- (1964) The Computer Journal , vol.7 , pp. 149
- Fletcher, R.¹ Reeves, C.M.²

59
- 84986479924
- States, D.J.¹ Karplus, M.²

60
- 84986490427
- States, D.J.¹ Karplus, M.²

61
- 0001612915
- Crystallographic refinement of the structure of bovine pancreatic trypsin inhibitor at l.5 Å resolution
- (1975) Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry , vol.31 , pp. 238
- Deisenhofer, J.¹ Steigemann, W.²

62
- 34548717559
- (1957) J. Chem. Phys. , vol.27 , pp. 1208
- Alder, B.J.¹ Wainwright, T.E.²

63
- 22944467757
- (1967) Phys. Rev. , vol.159 , pp. 98
- Verlet, L.¹

64
- 0003646475
- Prentice‐Hall, England Cliff, NJ
- (1971) Numerical Initial Value Problems in Ordinary Differential Equations
- Gear, C.W.¹

65
- 36049053866
- (1967) Phys. Rev. , vol.153 , pp. 250
- Lebowitz, J.L.¹ Percus, J.K.² Verlet, L.³

66
- 84986475822
- (1982) Proc. Soc. Physico‐Optical Instr. Engin. , vol.367 , pp. 13
- Ladner, R.C.¹

67
- 0012730035
- The Calculation of the Eigenvectors of Codiagonal Matrices
- (1958) The Computer Journal , vol.1 , pp. 90
- Wilkinson, J.H.¹

68
- 0012666124
- Householder's Method for the Solution of the Algebraic Eigenproblem
- (1960) The Computer Journal , vol.3 , pp. 23
- Wilkinson, J.H.¹

69
- 0012666808
- On Sturm Sequences for Tridiagonal Matrices
- (1960) Journal of the ACM , vol.7 , pp. 260
- Ortega, J.M.¹

70
- 0003660674
- Oxford University Press, London
- (1965) The Algebraic Eigenvalue Problem
- Wilkinson, J.H.¹

71
- 5244280952
- (1965) Quantum Chemistry Program Exchange , vol.11 , pp. 62
- Michels, H.¹ Prosser, F.²

72
- 84986475835
- Brooks, B.R.¹ Karplus, M.²

73
- 84986466467
- Brooks, B.R.¹ Karplus, M.²

74
- 0014797273
- (1970) Commun. Assoc. Comput. Mach. , vol.13 , pp. 377
- Codd, E.F.¹

75
- 0016928607
- (1976) Comput. Surveys , vol.8 , pp. 105
- Tsichritzis, D.C.¹ Lochovsky, F.H.²

76
- 0015222647
- (1971) J. Mol. Biol. , vol.55 , pp. 379
- Lee, B.¹ Richards, F.M.²

77
- 73649194755
- (1963) J. Mol. Biol. , vol.7 , pp. 95
- Ramachandran, G.N.¹ Ramakrishnan, C.² Sasisekharan, V.³

78
- 84986488235
- “GRAMPS, GRAphics for the MPS, A Command Language Interpreter for Producing Computer Graphics on the Evans & Sutherland Multi‐Picture System”, National Resource for Computation in Chemistry, Berkeley, CA
- (1981)
- O'Donnell, T.J.¹

79
- 0015960104
- (1974) J. Assoc. Comput. Mach. , vol.21 , pp. 168
- Wagner, R.A.¹ Fischer, M.J.²

80
- 0014757386
- (1970) J. Mol. Biol. , vol.48 , pp. 443
- Needleman, S.B.¹ Wunsch, C.D.²

81
- 0002477138
- Time-Correlation Functions and Transport Coefficients in Statistical Mechanics
- (1965) Annual Review of Physical Chemistry , vol.16 , pp. 67
- Zwanzig, R.¹

82
- 0003851111
- Wiley, New York
- (1976) Dynamic Light Scattering
- Berne, B.J.¹ Pecora, R.²

83
- 84968470212
- An algorithm for the machine calculation of complex Fourier series
- (1965) Mathematics of Computation , vol.19 , pp. 297
- Cooley, J.M.¹ Tukey, J.W.²

84
- 36049058132
- (1969) Phys. Rev. , vol.182 , pp. 280
- Zwanzig, R.¹ Ailawadi, N.K.²

85
- 84986478395
- Lee, S.Y.¹ Karplus, M.²

86
- 84986504620
- Molecular dynamics studies of nmr relaxation in proteins
- (1980) Biophysical Journal , vol.32 , pp. 628
- Levy, R.M.¹ McCammon, J.A.² Karplus, M.³

87
- 84986478373
- “FLECS User's Manual”, Computing Center, University of Oregon, Eugene, OR 97403.
- (1975)
- Beyer, T.¹

88
- 84986479888
- 147
- (1968) Comm. Assoc. Comput. Mach. , vol.11
- Dijkstra, E.W.¹

89
- 84939389459
- Addison Wesley, Reading, MA
- (1976) Fundamental Concepts of Programming Systems
- Ullman, J.D.¹

90
- 0018791973
- (1979) J. Mol. Biol. , vol.132 , pp. 343
- Case, D.A.¹ Karplus, M.²

91
- 84986479871
- (1979) Biochemistry , vol.17 , pp. 43
- Alderbing, N.¹ Chan, S.S.² Eisenstein, L.³ Fraunfelder, H.⁴ Good, D.⁵ Gunsalus, I.C.⁶ Nordland, T.M.⁷ Perutz, M.F.⁸ Reynolds, A.H.⁹ Sorensen, L.B.¹⁰

92
- 0015489496
- (1972) Ann. Rev. Biochem. , vol.41 , pp. 903
- Englander, S.W.¹ Downer, N.W.² Teitlebaum, H.³

93
- 0018368695
- (1979) Ann. Rev. Biophys. Bioeng. , vol.8 , pp. 99
- Woodward, C.K.¹ Hilton, D.²

94
- 0016412390
- (1978) Adv. Protein Chem. , vol.29 , pp. 1
- Weber, G.¹

95
- 0016819380
- (1975) Biochemistry , vol.14 , pp. 3765
- Snyder, G.H.¹ Rowan, R.² Karplus, S.³ Sykes, B.D.⁴

96
- 84985721981
- Dynamics of tyrosine ring rotations in a globular protein
- (1980) Biopolymers , vol.19 , pp. 1375
- McCammon, J.A.¹ Karplus, M.²

97
- 0019872826
- (1981) J. Mol. Biol. , vol.145 , pp. 251
- Levitt, M.¹

98
- 84986478365
- States, D.J.¹ Karplus, M.²

99
- 36149017081
- (1931) Phys. Rev. , vol.37 , pp. 682
- Slater, J.C.¹ Kirkwood, J.G.²

100
- 0003129925
- I. Prigogine, Interscience, New York
- Advances in Chemical Physics , vol.1 , pp. 59
- Pitzer, K.S.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.