Docking multiple conformations of a flexible ligand into a protein binding site using NMR restraints

Proteins: Structure, Function and Genetics

Volumn 46, Issue 3, 2002, Pages 295-307

  Zabell, Adam P R ^a   Post, Carol Beth ^a,b  

^a PURDUE UNIVERSITY   (United States)

^b PURDUE UNIVERSITY   (United States)

Author keywords

Band 3; Exchange transferred NOE; Ligand docking; Molecular dynamics; Monte Carlo; Peptide protein modeling; Scoring functions; Simulated annealing

Indexed keywords

PROTEIN;

BINDING SITE; CALCULATION; COMPLEX FORMATION; CONFERENCE PAPER; MONTE CARLO METHOD; NUCLEAR MAGNETIC RESONANCE; NUCLEAR OVERHAUSER EFFECT; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN INTERACTION; SCORING SYSTEM;

ANION EXCHANGE PROTEIN 1, ERYTHROCYTE; BINDING SITES; COMPUTER SIMULATION; FRUCTOSE-BISPHOSPHATE ALDOLASE; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MONTE CARLO METHOD; PEPTIDES; PROTEIN BINDING; PROTEIN CONFORMATION;

EID: 0037083321     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10017     Document Type: Conference Paper

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