ALGORITHMS FOR MACROMOLECULAR DYNAMICS AND CONSTRAINT DYNAMICS

被引：1665

作者：

VANGUNSTEREN, WF ^{[1
]}

BERENDSEN, HJC ^{[1
]}

机构：

[1] STATE UNIV GRONINGEN, PHYS CHEM LAB, GRONINGEN, NETHERLANDS

来源：

MOLECULAR PHYSICS | 1977年 / 34卷 / 05期

关键词：

D O I：

10.1080/00268977700102571

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：1311 / 1327

页数：17

共 21 条

[1] STUDIES IN MOLECULAR DYNAMICS .1. GENERAL METHOD [J].

ALDER, BJ ;

WAINWRIGHT, TE .

JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (02) :459-466

[2]

[Anonymous], CONFORMATIONAL PROPE

[3] SIMULATION OF DIATOMIC HOMONUCLEAR LIQUIDS [J].

BAROJAS, J ;

LEVESQUE, D ;

QUENTREC, B .

PHYSICAL REVIEW A, 1973, 7 (03) :1092-1105

[4] SOME MULTISTEP METHODS FOR USE IN MOLECULAR-DYNAMICS CALCULATIONS [J].

BEEMAN, D .

JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 20 (02) :130-139

[5] CRYSTALLOGRAPHIC REFINEMENT OF STRUCTURE OF BOVINE PANCREATIC TRYPSIN-INHIBITOR AT 1.5 A RESOLUTION [J].

DEISENHOFER, J ;

STEIGEMANN, W .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1975, 31 (JAN15) :238-250

[6]

Flory P.J., 1989, STAT MECH CHAIN MOL

[7] NUMERICAL INTEGRATION OF ORDINARY DIFFERENTIAL EQUATIONS [J].

GEAR, CW .

MATHEMATICS OF COMPUTATION, 1967, 21 (98) :146-&

[8]

GEAR CW, 1966, ANL7126 REP

[9] SIDECHAIN TORSIONAL POTENTIALS AND MOTION OF AMINO-ACIDS IN PROTEINS - BOVINE PANCREATIC TRYPSIN-INHIBITOR [J].

GELIN, BR ;

KARPLUS, M .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1975, 72 (06) :2002-2006

[10] DYNAMICS OF FOLDED PROTEINS [J].

MCCAMMON, JA ;

GELIN, BR ;

KARPLUS, M .

NATURE, 1977, 267 (5612) :585-590

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