OPTIMIZATION OF BROWNIAN DYNAMICS METHODS FOR DIFFUSION-INFLUENCED RATE-CONSTANT CALCULATIONS

被引：55

作者：

NORTHRUP, SH

CURVIN, MS

ALLISON, SA

MCCAMMON, JA

机构：

[1] GEORGIA STATE UNIV,DEPT CHEM,ATLANTA,GA 30303

[2] UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77044

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 84卷 / 04期

关键词：

D O I：

10.1063/1.450381

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：2196 / 2203

页数：8

共 14 条

[1] DYNAMICS OF SUBSTRATE BINDING TO COPPER-ZINC SUPEROXIDE-DISMUTASE [J].

ALLISON, SA ;

MCCAMMON, JA .

JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (07) :1072-1074

[2] EXTENDED BROWNIAN DYNAMICS OF DIFFUSION CONTROLLED REACTIONS [J].

ALLISON, SA ;

NORTHRUP, SH ;

MCCAMMON, JA .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (06) :2894-2899

[3] SIMULATION OF THE DIFFUSION-CONTROLLED REACTION BETWEEN SUPEROXIDE AND SUPEROXIDE-DISMUTASE .1. SIMPLE-MODELS [J].

ALLISON, SA ;

GANTI, G ;

MCCAMMON, JA .

BIOPOLYMERS, 1985, 24 (07) :1323-1336

[4]

ALLISON SA, 1985, ACS S SER

[5] DIFFUSION-CONTROLLED REACTION RATES [J].

COLLINS, FC ;

KIMBALL, GE .

JOURNAL OF COLLOID SCIENCE, 1949, 4 (04) :425-437

[6] BROWNIAN DYNAMICS WITH HYDRODYNAMIC INTERACTIONS [J].

ERMAK, DL ;

MCCAMMON, JA .

JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (04) :1352-1360

[7] BROWNIAN DYNAMICS OF DIFFUSION-CONTROLLED REACTIONS - THE LATTICE METHOD [J].

GANTI, G ;

MCCAMMON, JA ;

ALLISON, SA .

JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (18) :3899-3902

[8] EXTENDED BROWNIAN DYNAMICS .2. REACTIVE, NON-LINEAR DIFFUSION [J].

LAMM, G ;

SCHULTEN, K .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (05) :2713-2734

[9] EXTENDED BROWNIAN DYNAMICS .3. 3-DIMENSIONAL DIFFUSION [J].

LAMM, G .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (06) :2845-2855

[10] BROWNIAN DYNAMICS SIMULATION OF DIFFUSION-INFLUENCED BIMOLECULAR REACTIONS [J].

NORTHRUP, SH ;

ALLISON, SA ;

MCCAMMON, JA .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (04) :1517-1526

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