IMPLEMENTATION OF A MACROMOLECULAR MECHANICS PROGRAM ON A CYBER-205 SUPERCOMPUTER

被引：7

作者：

GALLION, SL ^{[1
]}

LEVY, RM ^{[1
]}

WEINER, PK ^{[1
]}

HIRATA, F ^{[1
]}

机构：

[1] RUTGERS STATE UNIV,DEPT CHEM,NEW BRUNSWICK,NJ 08903

来源：

COMPUTERS & CHEMISTRY | 1986年 / 10卷 / 03期

关键词：

This work has been supported in part by grants from use of empirical energy functions of the molecular the National Institutes of Health (GM-30580) and the Na- mechanics type. These functions contain terms de-tional Science Foundation Office of Advanced ScientificC om-scribing covalent bond interactions. bond angle inter- puting (DMB 8541242/8306023). R.M.L. is an Alfred P. actions; torsional angle interactions and nonbonded Sloan Foundation Fellow and the recipient of an NIH Research Carreer Development Award. (van der Waals; hydrogen bond; and Coulomb) inter- tAnthor to whom correspondences hould be addressed. actions. The macromolecular mechanics program we 165;

D O I：

10.1016/0097-8485(86)80008-0

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：165 / 173

页数：9

共 11 条

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