HBonanza: A computer algorithm for molecular-dynamics-trajectory hydrogen-bond analysis

Journal of Molecular Graphics and Modelling

Volumn 31, Issue , 2011, Pages 5-9

  Durrant, Jacob D ^a   McCammon, J Andrew ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Computational chemistry; Computer aided drug design; Hydrogen bond; Molecular dynamics simulations; Molecular recognition

Indexed keywords

ACTIVE SITE; ANALYSIS TOOLS; COMPUTER ALGORITHM; COMPUTER PROGRAM; COMPUTER-AIDED DRUG DESIGN; CUSTOMIZABLE; FREE OF CHARGE; HYDROGEN BOND NETWORKS; HYDROGEN-BOND FORMATION; LIGAND BINDING AFFINITY; LIGAND-RECEPTOR COMPLEX; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR DYNAMICS TRAJECTORIES; MOLECULAR VISUALIZATION; OPEN SOURCES; PLATFORM INDEPENDENT; SINGLE STRUCTURE;

ALGORITHMS; BINDING ENERGY; CHEMICAL ANALYSIS; COMPUTATIONAL CHEMISTRY; DYNAMICS; LIGANDS; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; VISUALIZATION;

HYDROGEN BONDS;

LIGAND; RECEPTOR;

ANTIBODY COMBINING SITE; ARTICLE; BINDING AFFINITY; CHEMICAL ANALYSIS; COMPUTER PROGRAM; HYDROGEN BOND; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL;

ALGORITHMS; CATALYTIC DOMAIN; HYDROGEN; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; SENSITIVITY AND SPECIFICITY; THERMODYNAMICS;

EID: 80053894476     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2011.07.008     Document Type: Article

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