ACTIVE-SITE DYNAMICS IN PROTEIN MOLECULES - A STOCHASTIC BOUNDARY MOLECULAR-DYNAMICS APPROACH

被引：337

作者：

BROOKS, CL

BRUNGER, A

KARPLUS, M

机构：

来源：

BIOPOLYMERS | 1985年 / 24卷 / 05期

关键词：

D O I：

10.1002/bip.360240509

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

页码：843 / 865

页数：23

共 23 条

[1] GENERALIZED LANGEVIN MODELS AND CONDENSED-PHASE CHEMICAL-REACTION DYNAMICS [J].

ADELMAN, SA ;

BROOKS, CL .

JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (09) :1511-1524

[2] GENERALIZED LANGEVIN THEORY FOR MANY-BODY PROBLEMS IN CHEMICAL-DYNAMICS - MODELING OF SOLID AND LIQUID-STATE RESPONSE FUNCTIONS [J].

BERKOWITZ, M ;

BROOKS, CL ;

ADELMAN, SA .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (07) :3889-3898

[3] MOLECULAR-DYNAMICS WITH STOCHASTIC BOUNDARY-CONDITIONS [J].

BERKOWITZ, M ;

MCCAMMON, JA .

CHEMICAL PHYSICS LETTERS, 1982, 90 (03) :215-217

[4] CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].

BROOKS, BR ;

BRUCCOLERI, RE ;

OLAFSON, BD ;

STATES, DJ ;

SWAMINATHAN, S ;

KARPLUS, M .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217

[5] DYNAMICS OF LIQUID-STATE CHEMICAL-REACTIONS - VIBRATIONAL-ENERGY RELAXATION OF MOLECULAR-IODINE IN LIQUID SOLUTION [J].

BROOKS, CL ;

BALK, MW ;

ADELMAN, SA .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (02) :784-803

[6] DEFORMABLE STOCHASTIC BOUNDARIES IN MOLECULAR-DYNAMICS [J].

BROOKS, CL ;

KARPLUS, M .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (12) :6312-6325

[7] STOCHASTIC BOUNDARY-CONDITIONS FOR MOLECULAR-DYNAMICS SIMULATIONS OF ST2 WATER [J].

BRUNGER, A ;

BROOKS, CL ;

KARPLUS, M .

CHEMICAL PHYSICS LETTERS, 1984, 105 (05) :495-500

[8] DYNAMICS OF LIGAND-BINDING TO HEME-PROTEINS [J].

CASE, DA ;

KARPLUS, M .

JOURNAL OF MOLECULAR BIOLOGY, 1979, 132 (03) :343-368

[9]

ECKLUND H, 1981, J MOL BIOL, V146, P561

[10]

Fersht A. R., 1977, ENZYME STRUCTURE MEC

← 1 2 3 →