IMPLEMENTATION OF A MACROMOLECULAR MECHANICS PROGRAM ON A CYBER-205 SUPERCOMPUTER
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作者:
GALLION, SL
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RUTGERS STATE UNIV,DEPT CHEM,NEW BRUNSWICK,NJ 08903RUTGERS STATE UNIV,DEPT CHEM,NEW BRUNSWICK,NJ 08903
GALLION, SL
[1
]
LEVY, RM
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RUTGERS STATE UNIV,DEPT CHEM,NEW BRUNSWICK,NJ 08903RUTGERS STATE UNIV,DEPT CHEM,NEW BRUNSWICK,NJ 08903
LEVY, RM
[1
]
WEINER, PK
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RUTGERS STATE UNIV,DEPT CHEM,NEW BRUNSWICK,NJ 08903RUTGERS STATE UNIV,DEPT CHEM,NEW BRUNSWICK,NJ 08903
WEINER, PK
[1
]
HIRATA, F
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RUTGERS STATE UNIV,DEPT CHEM,NEW BRUNSWICK,NJ 08903RUTGERS STATE UNIV,DEPT CHEM,NEW BRUNSWICK,NJ 08903
HIRATA, F
[1
]
机构:
[1] RUTGERS STATE UNIV,DEPT CHEM,NEW BRUNSWICK,NJ 08903
来源:
COMPUTERS & CHEMISTRY
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1986年
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10卷
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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;