Computational approaches to find the active binding sites of biological targets against busulfan

Journal of Molecular Modeling

Volumn 22, Issue 6, 2016, Pages

  Karthick, T ^a   Tandon, Poonam ^a  

^a UNIVERSITY OF LUCKNOW   (India)

Author keywords

Busulfan; Fukui function; Molecular electrostatic potential; Partial flexible blind docking; Rigid docking

Indexed keywords

BUSULFAN; PROTEIN; PROTEIN BINDING;

ARTICLE; CONFORMATIONAL TRANSITION; DENSITY FUNCTIONAL THEORY; DRUG BINDING SITE; DRUG PROTEIN BINDING; ELECTRIC POTENTIAL; ELECTRON; ELECTROPHILICITY; FOURIER TRANSFORMATION; GENETIC ALGORITHM; HYDROGEN BOND; INHIBITION CONSTANT; IONIZATION; MOLECULAR DOCKING; MOLECULAR INTERACTION; NUCLEOPHILICITY; PRIORITY JOURNAL; STATIC ELECTRICITY; SURFACE PROPERTY; ALGORITHM; BINDING SITE; BIOLOGY; CHEMISTRY; CONFORMATION; ENZYME ACTIVE SITE; METABOLISM; PROCEDURES; PROTEIN DOMAIN;

ALGORITHMS; BINDING SITES; BUSULFAN; CATALYTIC DOMAIN; COMPUTATIONAL BIOLOGY; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN DOMAINS; PROTEINS; STATIC ELECTRICITY;

EID: 84973315150     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-016-3015-z     Document Type: Article

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