Exploration of human serum albumin binding sites by docking and molecular dynamics flexible ligand - Protein interactions

Biopolymers

Volumn 93, Issue 2, 2010, Pages 161-170

  Deeb, Omar ^a   Rosales Hernández, Martha Cecilia ^b   Gómez Castro, Carlos ^b   Garduño Juárez, Ramón ^c   Correa Basurto, José ^b  

^a AL QUDS UNIVERSITY   (Palestine)

^b INSTITUTO POLITÉCNICO NACIONAL   (Mexico)

^c INSTITUTO DE CIENCIAS FÍSICAS   (Mexico)

Author keywords

Docking; Human serum albumin; Molecular dynamics; Multiple linear regression analysis

Indexed keywords

BINDING AFFINITIES; BINDING DRUGS; DOCKING PROCEDURES; DOCKING SIMULATIONS; FLEXIBLE LIGANDS; HUMAN SERUM ALBUMIN; HUMAN SERUM ALBUMINS; KETOPROFEN; LIGAND BINDING; LIGAND INTERACTIONS; LIGAND-BINDING SITES; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; MULTIPLE LINEAR REGRESSION ANALYSIS; MULTIPLE REGRESSION ANALYSIS; PROTEIN STRUCTURES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDIES;

BINDING ENERGY; BIOCHEMISTRY; BODY FLUIDS; DOCKING; DYES; DYNAMICS; LIGANDS; LINEAR REGRESSION; METAL ANALYSIS; MOLECULAR DYNAMICS; MOTION CONTROL; PROTEINS; STATISTICS; SULFUR COMPOUNDS;

BINDING SITES;

HUMAN SERUM ALBUMIN; KETOPROFEN; LIGAND; WARFARIN;

ARTICLE; BINDING AFFINITY; BINDING SITE; CONTROLLED STUDY; DRUG PROTEIN BINDING; HUMAN; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PROTEIN BINDING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMULATION; STRUCTURE ANALYSIS; ANALYTIC METHOD; CONFORMATIONAL TRANSITION; MOLECULAR INTERACTION; MOLECULAR RECOGNITION; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE;

BINDING SITES; HUMANS; KETOPROFEN; LIGANDS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN INTERACTION DOMAINS AND MOTIFS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SERUM ALBUMIN; THERMODYNAMICS; WARFARIN;

EID: 73649138207     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.21314     Document Type: Article

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