Calculation of Ligand-Nucleic Acid Binding Free Energies with the Generalized-Born Model in DOCK

Biopolymers

Volumn 73, Issue 2, 2004, Pages 192-204

  Kang, Xinshan ^a,b   Shafer, Richard H ^a   Kuntz, Irwin D ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b PTC THERAPEUTICS   (United States)

Author keywords

Born approximation; Electrostatic interactions; Molecular docking; Nucleic acid docking; Solvation

Indexed keywords

BINDING ENERGY; DATABASE SYSTEMS; FREE ENERGY; RNA;

LIGANDS; SOLVATION EFFECTS;

DNA;

APTAMER; DOUBLE STRANDED DNA; NUCLEIC ACID; RNA;

ACCURACY; ARTICLE; CALCULATION; DATA BASE; DNA BINDING; DNA PROTEIN COMPLEX; ELECTRICITY; ENERGY; ENTHALPY; LIGAND BINDING; MOLECULAR MODEL; PARAMETER; RNA BINDING; SCREENING; SOLVATION; VALIDATION PROCESS;

DATABASES, GENETIC; DNA; LIGANDS; MODELS, CHEMICAL; MODELS, THEORETICAL; NUCLEIC ACIDS; PROTEIN BINDING; RNA; SOLVENTS; THERMODYNAMICS;

EID: 1242272760     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/bip.10541     Document Type: Article

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