CALCULATING THE ELECTROSTATIC POTENTIAL OF MOLECULAR-MODELS WITH SEPARATE EVALUATIONS BY CONVENTIONAL, VECTOR, AND ARRAY PROCESSORS

被引：2

作者：

EGAN, JT ^{[1
]}

MACELROY, RD ^{[1
]}

机构：

[1] NASA,AMES RES CTR,MOFFETT FIELD,CA 94035

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1984年 / 5卷 / 01期

关键词：

D O I：

10.1002/jcc.540050110

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：72 / 83

页数：12

共 14 条

[1] PROGRAMS FOR CALCULATING THE MOLECULAR ELECTROSTATIC POTENTIAL
ARTYUKHOV, VY
JOURNAL OF STRUCTURAL CHEMISTRY, 1978, 19 (03) : 364 - 368
[2] DISPLAY ALGORITHM FOR SPACE-FILLING MOLECULAR-MODELS USING A VIDEO ARRAY PROCESSOR
SCHULTZE, P
WUTHRICH, K
JOURNAL OF MOLECULAR GRAPHICS, 1986, 4 (02): : 108 - &
[3] GAME - A COMPUTER-GRAPHICS METHOD FOR CALCULATING AND DISPLAYING THE MOLECULAR ELECTROSTATIC POTENTIAL
HAYD, H
BERGNER, A
PREUSS, H
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1995, 13 (01): : 2 - 9
[4] REPRESENTATION OF THE MOLECULAR ELECTROSTATIC POTENTIAL BY ATOMIC MULTIPOLE AND BOND DIPOLE MODELS
WILLIAMS, DE
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1988, 9 (07) : 745 - 763
[5] Poisson-Boltzmann calculations versus molecular dynamics simulations for calculating the electrostatic potential of a solvated peptide
Löffler, G
THEORETICAL CHEMISTRY ACCOUNTS, 1999, 101 (1-3) : 163 - 169
[6] Poisson-Boltzmann calculations versus molecular dynamics simulations for calculating the electrostatic potential of a solvated peptide
Gerald Löffler
Theoretical Chemistry Accounts, 1999, 101 : 163 - 169
[7] STRUCTURAL STUDY OF THE ANGLE-AVERAGED SOFT KIHARA POTENTIAL FOR LINEAR MOLECULAR-MODELS - A TEST OF PERTURBATION-THEORY
VEGA, C
LAGO, S
MOLECULAR PHYSICS, 1991, 72 (01) : 215 - 228
[8] MOLECULAR ELECTROSTATIC POTENTIAL IN POINT-CHARGE MODELS AND FSGO WAVE-FUNCTIONS
FRIEDEMANN, R
BRANDT, W
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-LEIPZIG, 1985, 266 (06): : 1201 - 1209
[9] Impacts of potential models on calculating the thermal conductivity of graphene using non-equilibrium molecular dynamics simulations
Si, Chao
Wang, Xiao-Dong
Fan, Zhen
Feng, Zhi-Hai
Cao, Bing-Yang
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, 2017, 107 : 450 - 460
[10] COMPARISON OF POTENTIAL-DERIVED CHARGE AND ATOMIC MULTIPOLE MODELS IN CALCULATING ELECTROSTATIC POTENTIALS AND ENERGIES OF SOME NUCLEIC-ACID BASES AND PAIRS
RITCHIE, JP
COPENHAVER, AS
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1995, 16 (06) : 777 - 789

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