Ligand aligning method for molecular docking: Alignment of property-weighted vectors

Journal of Chemical Information and Modeling

Volumn 52, Issue 4, 2012, Pages 984-995

  Joung, Jong Young ^a,b   Nam, Ky Youb ^b   Cho, Kwang Hwi ^c   No, Kyoung Tai ^a,d  

^a Yonsei University   (South Korea)

^b Bioinformatics and Molecular Design Research Center (BMDRC)   (South Korea)

^c Soongsil University   (South Korea)

^d Translational Research Center for Protein Function Control   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

ALIGNMENT; COMPLEXATION; FREE ENERGY; PROTEINS; VECTOR SPACES; VECTORS;

CONFORMATIONAL SPACE; HYDRATION FREE ENERGY DENSITIES; INITIAL ORIENTATION; LIGAND CONFORMATIONS; MOLECULAR PROPERTIES; ORTHOGONAL VECTORS; PRINCIPLE MOMENTS; PROTEIN-LIGAND COMPLEXES;

LIGANDS;

LIGAND; PROTEIN; MOLECULAR LIBRARY; PROTEIN BINDING;

ALGORITHM; ARTICLE; BINDING SITE; CHEMICAL DATABASE; CHEMICAL PHENOMENA; CHEMISTRY; CONFORMATION; DRUG DEVELOPMENT; HUMAN; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR LIBRARY; PROTEIN BINDING; PROTEIN DATABASE; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

ALGORITHMS; BINDING SITES; DATABASES, CHEMICAL; DATABASES, PROTEIN; DRUG DISCOVERY; HUMANS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEINS; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 84862010592     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200501p     Document Type: Article

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