MOLECULAR-DYNAMICS SIMULATIONS OF BETA-D-GLUCOPYRANOSE

被引:43
作者
BRADY, JW
机构
关键词
D O I
10.1016/0008-6215(87)80107-6
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
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页码:306 / 312
页数:7
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共 19 条
[1]   CONFORMATIONAL ANALYSIS IN CARBOHYDRATE CHEMISTRY .I. CONFORMATIONAL FREE ENERGIES . CONFORMATIONS AND ALPHA - BETA RATIOS OF ALDOPYRANOSES IN AQUEOUS SOLUTION [J].
ANGYAL, SJ .
AUSTRALIAN JOURNAL OF CHEMISTRY, 1968, 21 (11) :2737-&
[2]   MOLECULAR-DYNAMICS SIMULATIONS OF ALPHA-D-GLUCOSE [J].
BRADY, JW .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (26) :8153-8160
[3]   CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].
BROOKS, BR ;
BRUCCOLERI, RE ;
OLAFSON, BD ;
STATES, DJ ;
SWAMINATHAN, S ;
KARPLUS, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217
[4]   ALPHA-DELTA-GLUCOSE - FURTHER REFINEMENT BASED ON NEUTRON-DIFFRACTION DATA [J].
BROWN, GM ;
LEVY, HA .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1979, 35 (MAR) :656-659
[5]   REFINEMENT OF CRYSTAL STRUCTURES OF BETA-D-GLUCOSE AND CELLOBIOSE [J].
CHU, SSC ;
JEFFREY, GA .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1968, B 24 :830-&
[6]   GENERAL DEFINITION OF RING PUCKERING COORDINATES [J].
CREMER, D ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1354-1358
[7]   MONTE-CARLO INVESTIGATION OF CONFORMATIONAL FREE-ENERGIES OF ALDOHEXOPYRANOSES [J].
DUNFIELD, LG ;
WHITTINGTON, SG .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1977, (05) :654-658
[8]  
FRENCH AD, 1973, CARBOHYD RES, V27, P391
[9]   INTRAMOLECULAR CHANGES DURING POLYMORPHIC TRANSFORMATIONS OF AMYLOSE [J].
FRENCH, AD ;
MURPHY, VG .
POLYMER, 1977, 18 (05) :489-494
[10]   FLEXIBILITY OF THE PYRANOSE RING IN ALPHA-D-GLUCOSE AND BETA-D-GLUCOSE [J].
JOSHI, NV ;
RAO, VSR .
BIOPOLYMERS, 1979, 18 (12) :2993-3004