Gaussian docking functions

Biopolymers

Volumn 68, Issue 1, 2003, Pages 76-90

  McGann, Mark R ^a   Almond, Harold R ^b   Nicholls, Anthony ^a   Grant, J Andrew ^c   Brown, Frank K ^d  

^a OpenEye Scientific Software Inc   (United States)

^b JOHNSON AND JOHNSON PHARMACEUTICAL RESEARCH AND DEVELOPMENT   (United States)

^c ASTRAZENECA   (United Kingdom)

^d NONE

Author keywords

Docking; Electronic screening of ligands; Gaussian based docking function; Structure based drug design

Indexed keywords

ATOMS; OPTIMIZATION; X RAY ANALYSIS;

DOCKING FUNCTIONS;

BIOPOLYMERS;

DOCKING PROTEIN;

ARTICLE; COMPLEX FORMATION; ENZYME ACTIVE SITE; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN STRUCTURE; SCORING SYSTEM; X RAY ANALYSIS;

BINDING SITES; COMPUTER SIMULATION; DATABASES, PROTEIN; LIGANDS; NORMAL DISTRIBUTION; PROTEIN BINDING; PROTEIN CONFORMATION; THERMODYNAMICS; TRYPSIN;

EID: 0346665839     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/bip.10207     Document Type: Article

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