SCOPUS 정보 검색 플랫폼

Molecular Informatics

Volumn 31, Issue 2, 2012, Pages 114-122

Free energy calculations by the Molecular Mechanics Poisson-Boltzmann Surface Area method

(2) Homeyer, Nadine a Gohlke, Holger a

a HEINRICH HEINE UNIVERSITY (Germany)

Author keywords

Binding affinity; Drug design; Implicit solvent; MM PBSA; Molecular recognition

Indexed keywords

BINDING ENERGY; FREE ENERGY; MOLECULES;

AREA METHOD; BINDING AFFINITIES; CONFORMATIONAL PREFERENCES; DRUG DESIGN; FREE-ENERGY CALCULATIONS; IMPLICIT SOLVENTS; MOLECULAR MECHANIC POISSON-BOLTZMANN SURFACE AREA; MOLECULAR SYSTEMS; POISSON-BOLTZMANN; SURFACE AREA;

MOLECULAR MECHANICS;

DNA; PHOSPHOAMINO ACID;

ARTICLE; BINDING AFFINITY; CALCULATION; CHEMICAL STRUCTURE; COMPUTER ANALYSIS; CONTROLLED STUDY; ENERGY; LIGAND BINDING; MACROMOLECULE; MOLECULAR MECHANICS; MOLECULAR RECOGNITION; MOLECULAR STABILITY; NANOPHARMACEUTICS; POISSON DISTRIBUTION; POLARIZATION; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION;

EID: 84857282935 PISSN: 18681743 EISSN: 18681751 Source Type: Journal
DOI: 10.1002/minf.201100135 Document Type: Article

Times cited : (812)

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