Theoretical studies of oligosaccharide structure and conformational dynamics

被引:19
作者
Brady, John W. [1 ]
机构
[1] Cornell Univ, Dept Food Sci, Stocking Hall, Ithaca, NY 14853 USA
关键词
D O I
10.1016/0959-440X(91)90169-T
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
The application of molecular dynamics simulations to the modeling of oligosaccharides has opened up significant new areas of investigation in carbohydrate structural studies. In the past year, a number of simulations of carbohydrate flexibility and solvation have appeared using these techniques, which offer the hope of resolving many intractable questions concerning oligosaccharide conformational structure.
引用
收藏
页码:711 / 715
页数:5
相关论文
共 34 条
[1]   MOLECULAR-DYNAMICS SIMULATIONS OF ALPHA-D-GLUCOSE [J].
BRADY, JW .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (26) :8153-8160
[3]  
BRANT DA, 1990, ACS SYM SER, V430, P42
[4]   CONFORMATIONAL-ANALYSIS OF BIOPOLYMERS - CONFORMATIONAL ENERGY CALCULATIONS [J].
BRANT, DA .
ANNUAL REVIEW OF BIOPHYSICS AND BIOENGINEERING, 1972, 1 :369-408
[5]   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
[6]  
BROOKS CL, 1988, ADV CHEM PHYS, V71
[7]  
CARVER JP, 1990, ACS SYM SER, V430, P266
[8]   HIGH-RESOLUTION NMR AND MOLECULAR MODELING STUDIES ON COMPLEX CARBOHYDRATES - CHARACTERIZATION OF O-BETA-D-GAL-(1-]3)-O-BETA-D-GAL-(1-]4)-O-BETA-D-XYL-(1-]0)-L-SER, A CARBOHYDRATE PROTEIN LINKAGE REGION FRAGMENT FROM CONNECTIVE-TISSUE PROTEOGLYCANS [J].
CHOE, BY ;
EKBORG, GC ;
RODEN, L ;
HARVEY, SC ;
KRISHNA, NR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (10) :3743-3749
[9]   500-PICOSECOND MOLECULAR-DYNAMICS IN WATER OF THE MAN-ALPHA-1-]2MAN-ALPHA GLYCOSIDIC LINKAGE PRESENT IN ASN-LINKED OLIGOMANNOSE-TYPE STRUCTURES ON GLYCOPROTEINS [J].
EDGE, CJ ;
SINGH, UC ;
BAZZO, R ;
TAYLOR, GL ;
DWEK, RA ;
RADEMACHER, TW .
BIOCHEMISTRY, 1990, 29 (08) :1971-1974
[10]  
FRENCH AD, 1973, CARBOHYD RES, V27, P391