MOLECULAR-DYNAMICS SIMULATIONS OF ALPHA-D-GLUCOSE

被引:95
作者
BRADY, JW
机构
关键词
D O I
10.1021/ja00286a006
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:8153 / 8160
页数:8
相关论文
共 29 条
[11]  
GOEBEL CV, 1970, MACROMOLECULES, V3, P644
[12]  
JEFFREY GA, 1973, ADV CHEM SERIES, V117
[13]  
KARPLUS M, 1981, MACROMOLECULES, V14, P325, DOI 10.1021/ma50003a019
[14]  
KARPLUS M, 1983, ANNU REV BIOCHEM, V53, P263
[15]   CONFORMATIONS OF ALPHA-D-GLUCOPYRANOSE AND BETA-D-GLUCOPYRANOSE FROM AN EMPIRICAL FORCE-FIELD [J].
KILDEBY, K ;
MELBERG, S ;
RASMUSSEN, K .
ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1977, 31 (01) :1-13
[16]  
LEMIEUX RV, 1973, ADV CHEM SERIES, V117
[17]   CONFORMATIONS OF THE HYDROXYMETHYL GROUP IN CRYSTALLINE ALDOHEXOPYRANOSES [J].
MARCHESSAULT, RH ;
PEREZ, S .
BIOPOLYMERS, 1979, 18 (09) :2369-2374
[18]   CONFORMATIONS OF DISACCHARIDES BY EMPIRICAL, FORCE-FIELD CALCULATIONS .3. BETA-GENTIOBIOSE [J].
MELBERG, S ;
RASMUSSEN, K .
CARBOHYDRATE RESEARCH, 1980, 78 (02) :215-224
[19]   POTENTIAL-ENERGY FUNCTION FOR CALCULATION OF STRUCTURES, VIBRATIONAL-SPECTRA AND THERMODYNAMIC FUNCTIONS OF ALKANES, ALCOHOLS, ETHERS AND CARBOHYDRATES [J].
MELBERG, S ;
RASMUSSEN, K .
JOURNAL OF MOLECULAR STRUCTURE, 1979, 57 (DEC) :215-239
[20]   NON-BONDED INTERACTIONS IN D-GLUCOSE AND BETA-MALTOSE - ABINITIO STUDY OF CONFORMATIONS PRODUCED BY EMPIRICAL FORCE-FIELD CALCULATIONS [J].
MELBERG, S ;
RASMUSSEN, K ;
SCORDAMAGLIA, R ;
TOSI, C .
CARBOHYDRATE RESEARCH, 1979, 76 (NOV) :23-37