Discrete molecular dynamics distinguishes nativelike binding poses from decoys in difficult targets

Biophysical Journal

Volumn 102, Issue 1, 2012, Pages 144-151

  Proctor, Elizabeth A ^a   Yin, Shuangye ^b   Tropsha, Alexander ^a,c   Dokholyan, Nikolay V ^a,b,c  

^a UNIVERSITY OF NORTH CAROLINA   (United States)

^b UNIVERSITY OF NORTH CAROLINA SCHOOL OF MEDICINE   (United States)

^c UNC Hamner Institute for Drug Safety Sciences   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; PROTEIN;

ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; METHODOLOGY; PROTEIN ANALYSIS; PROTEIN BINDING;

BINDING SITES; COMPUTER SIMULATION; LIGANDS; MODELS, CHEMICAL; PROTEIN BINDING; PROTEIN INTERACTION MAPPING; PROTEINS;

EID: 84855438940     PISSN: 00063495     EISSN: 15420086     Source Type: Journal    
DOI: 10.1016/j.bpj.2011.11.4008     Document Type: Article

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