Monte Carlo-based searching as a tool to study carbohydrate structure

Carbohydrate Research

Volumn 346, Issue 9, 2011, Pages 1140-1148

  Dowd, Michael K ^a   Kiely, Donald E ^b,c   Zhang, Jinsong ^b,d  

^a SOUTHERN REGIONAL RESEARCH CENTER   (United States)

^b UNIVERSITY OF MONTANA   (United States)

^c Rivertop Renewables   (United States)

^d CALIFORNIA STATE UNIVERSITY   (United States)

Author keywords

Conformation; MM3; Molecular mechanics; Monte Carlo searching; Search algorithms

Indexed keywords

CONFORMATIONAL SEARCH; COUPLING CONSTANTS; D-GLUCOPYRANOSE; GENTIOBIOSE; LOCAL REGION; LOW ENERGIES; LOW ENERGY REGIONS; LOW ENERGY STRUCTURES; LOWER ENERGIES; MM3; MODELING PROBLEMS; MODELING STUDIES; MONTE CARLO; POTENTIAL FUNCTION; SEARCH ALGORITHMS;

CARBOHYDRATES; GLUCOSE; HYDROGEN; MECHANICS; MOLECULAR MECHANICS; MONTE CARLO METHODS;

CONFORMATIONS;

AMIDE; CARBOHYDRATE; GENTIOBIOSE; HYDROGEN; SORBITOL;

ARTICLE; CARBOHYDRATE ANALYSIS; CONFORMATION; ENERGY; MOLECULAR MECHANICS; MONTE CARLO METHOD; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

CARBOHYDRATE CONFORMATION; CARBOHYDRATES; COMPUTER SIMULATION; MONTE CARLO METHOD; SOFTWARE;

TETRA;

EID: 79955931420     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carres.2011.04.013     Document Type: Article

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