Ramachandran-type plots for glycosidic linkages: Examples from molecular dynamic simulations using the glycam06 force field

Journal of Computational Chemistry

Volumn 30, Issue 6, 2009, Pages 910-921

  Salisburg, Amanda M ^a   Deline, Ashley L ^a   Lexa, Katrina W ^a   Shields, George C ^a,b   Kirschnery, Karl N ^a,c  

^a HAMILTON COLLEGE   (United States)

^b Armstrong State University   (United States)

^c FRAUNHOFER INSTITUTE FOR ALGORITHMS AND SCIENTIFIC COMPUTING SCAI   (Germany)

Author keywords

Carbohydrate; Disaccharide; Glycam force field; Molecular dynamics; Ramachandran plot

Indexed keywords

CONFORMATIONAL SPACE; DISACCHARIDE; EXPERIMENTAL DATA; FORCE FIELDS; GENERAL TRENDS; GLYCAM FORCE FIELD; GLYCOSIDIC LINKAGES; IMPLICIT SOLVENTS; MOLECULAR DYNAMIC SIMULATIONS; RAMACHANDRAN PLOT;

AMINES; AMINO ACIDS; CARBOHYDRATES; CHAINS; FIELD PLOTTING; HYDRATES; MOLECULAR DYNAMICS; ORGANIC ACIDS; POLYSACCHARIDES;

DYNAMICS;

AMINO ACID; CARBOHYDRATE; DISACCHARIDE; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER PROGRAM; COMPUTER SIMULATION; CONFORMATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; VALIDATION STUDY; X RAY CRYSTALLOGRAPHY;

AMINO ACIDS; CARBOHYDRATES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DISACCHARIDES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SOFTWARE; WATER;

EID: 65449120739     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21099     Document Type: Article

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