Full protein flexibility is essential for proper hot-spot mapping

Journal of the American Chemical Society

Volumn 133, Issue 2, 2011, Pages 200-202

  Lexa, Katrina W ^a   Carlson, Heather A ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMIC AVERAGING; GASPHASE; HOT SPOT; LOCAL MINIMUMS; POTENTIAL SURFACES; PROBE MOLECULES; PROTEIN FLEXIBILITY; PROTEIN STRUCTURES; PROTEIN SURFACE; SOLVENT EFFECTS; SOLVENT MOLECULAR; STRUCTURE-BASED DRUG DESIGN; TRADITIONAL TECHNIQUES;

COMPETITION; FUNCTIONAL GROUPS; MAPPING; MOLECULAR DYNAMICS; PROBES;

PROTEINS;

PROTEIN; WATER;

ARTICLE; AVERAGING; COMPETITION; CONTROLLED STUDY; DRUG DESIGN; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; SAMPLING; SIMULATION; SOLVENT EFFECT; SURFACE PROPERTY;

MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEINS;

EID: 78651402672     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja1079332     Document Type: Article

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