Normal-mode-analysis-monitored energy minimization procedure for generating small-molecule bound conformations

PLoS ONE

Volumn 2, Issue 10, 2007, Pages

  Wang, Qi ^a   Pang, Yuan Ping ^a  

^a MAYO CLINIC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CHEMICAL STRUCTURE; COMPLEX FORMATION; CONFORMATION; CRYSTAL STRUCTURE; ENERGY; MOLECULAR DOCKING; MOLECULE; SCREENING; STATISTICAL ANALYSIS; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; CRYSTALLIZATION; METHODOLOGY; PHYSICAL CHEMISTRY; PROTEIN CONFORMATION; PROTEIN FOLDING; STATISTICAL MODEL; THEORETICAL MODEL; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

PROTEIN;

CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; CRYSTALLIZATION; CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; MODELS, STATISTICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEINS; SOFTWARE; THERMODYNAMICS;

EID: 40749121385     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0001025     Document Type: Article

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