Molecular dynamics simulations of ligand-induced backbone conformational changes in the binding site of the periplasmic lysine-, arginine-, ornithine-binding protein

Journal of Computer-Aided Molecular Design

Volumn 22, Issue 11, 2008, Pages 799-814

  Yang, Ami Y C ^a   Mancera, Ricardo L ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b CURTIN UNIVERSITY   (Australia)

Author keywords

LAO binding protein; Molecular dynamics; Protein flexibility

Indexed keywords

AMINO ACIDS; LIGANDS; PROTEINS;

BENDING MOVEMENT; BINDING PROTEINS; BINDING-SITES; BOUND STRUCTURE; CONFORMATIONAL CHANGE; DYNAMICS SIMULATION; GLOBULAR DOMAINS; LAO BINDING PROTEIN; PROTEIN FLEXIBILITY; SIDE-CHAINS;

MOLECULAR DYNAMICS;

ARGININE BINDING PROTEIN; ASPARTIC ACID; BINDING PROTEIN; LYSINE BINDING PROTEIN; ORNITHINE BINDING PROTEIN; PERIPLASMIC BINDING PROTEIN; THREONINE; UNCLASSIFIED DRUG;

AMINO ACID SUBSTITUTION; ARTICLE; BINDING SITE; COMPUTER AIDED DESIGN; CONFORMATIONAL TRANSITION; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN DOMAIN; PROTEIN STABILITY; PROTEIN STRUCTURE;

EID: 53249084550     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-008-9215-6     Document Type: Article

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