DECISIONS IN FORCE-FIELD DEVELOPMENT - AN ALTERNATIVE TO THOSE DESCRIBED BY ROTERMAN ET-AL

被引：26

作者：

KOLLMAN, PA

DILL, KA

机构：

[1] Department of Pharmaceutical Chemistry, University of California, San Francisco, CA

来源：

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS | 1991年 / 8卷 / 06期

关键词：

D O I：

10.1080/07391102.1991.10507872

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

We attempt to give an alternate point of view of the analysis by Roterman et al. (J. Biolmol. Struct. Dyn. 7,415 (1989)). In particular, we argue for the use of flexible geometry and explicit inclusion of solvent effects in analyzing phi,psi maps of peptides.

引用

页码：1103 / 1107

页数：5

共 25 条

[1] CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS
ALLINGER, NL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) : 8127 - 8134
[2] MICROFOLDING - CONFORMATIONAL PROBABILITY MAP FOR THE ALANINE DIPEPTIDE IN WATER FROM MOLECULAR-DYNAMICS SIMULATIONS
ANDERSON, AG
HERMANS, J
[J]. PROTEINS-STRUCTURE FUNCTION AND GENETICS, 1988, 3 (04): : 262 - 265
[3] FREE-ENERGY CALCULATIONS BY COMPUTER-SIMULATION
BASH, PA
SINGH, UC
LANGRIDGE, R
KOLLMAN, PA
[J]. SCIENCE, 1987, 236 (4801) : 564 - 568
[4] BEVERIDGE D, BIOMOLECULAR STEREOD, V3, P236
[5] CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS
BROOKS, BR
BRUCCOLERI, RE
OLAFSON, BD
STATES, DJ
SWAMINATHAN, S
KARPLUS, M
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) : 187 - 217
[6] CHAN HS, 1991, IN PRESS ANN REV BIO
[7] Flory P.J., 1989, STAT MECH CHAIN MOL
[8] GIBSON M, 1988, PROTEINS, V4, P7
[9] ENERGY FUNCTIONS FOR PEPTIDES AND PROTEINS .1. DERIVATION OF A CONSISTENT FORCE-FIELD INCLUDING HYDROGEN-BOND FROM AMIDE CRYSTALS
HAGLER, AT
HULER, E
LIFSON, S
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (17) : 5319 - 5327
[10] HEADGORDON T, 1989, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY QUANTUM BIOLOGY SYMPOSIUM, NO 16, P311

← 1 2 3 →