Molecular mechanical study of halogen bonding in drug discovery

Journal of Computational Chemistry

Volumn 32, Issue 12, 2011, Pages 2564-2574

  Ibrahim, Mahmoud A A ^a,b  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b Minia University ^*  (Egypt)

Author keywords

CDK2; extra point; halogen bond; MM PB(GB)SA binding energy; relative solvation free energy

Indexed keywords

CDK2; EXTRA-POINT; HALOGEN BONDS; MM-PB(GB)SA BINDING ENERGY; RELATIVE SOLVATION FREE ENERGY;

ATOMS; BENZENE; BINDING ENERGY; BOND LENGTH; FREE ENERGY; HALOGEN COMPOUNDS; POTENTIAL ENERGY; QUANTUM THEORY; SOLVATION;

IODINE;

ANTINEOPLASTIC AGENT; BENZOTRIAZOLE; CYCLIN DEPENDENT KINASE 2; HALOGEN; LEWIS BASE; TRIAZOLE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; DRUG DEVELOPMENT; HUMAN; PROTEIN BINDING; QUANTUM THEORY; STATIC ELECTRICITY;

ANTINEOPLASTIC AGENTS; CYCLIN-DEPENDENT KINASE 2; DRUG DISCOVERY; HALOGENS; HUMANS; LEWIS BASES; MODELS, CHEMICAL; PROTEIN BINDING; QUANTUM THEORY; STATIC ELECTRICITY; TRIAZOLES;

EID: 79959739959     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21836     Document Type: Article

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