Postprocessing of Docked Protein-Ligand Complexes Using Implicit Solvation Models

Journal of Chemical Information and Modeling

Volumn 51, Issue 2, 2011, Pages 267-282

  Lindström, Anton ^a   Edvinsson, Lotta ^a   Johansson, Andreas ^a   Andersson, C David ^a   Andersson, Ida E ^a   Raubacher, Florian ^b   Linusson, Anna ^a  

^a UMEÅ UNIVERSITY   (Sweden)

^b ASTRAZENECA R AND D   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; GEOMETRY; LIGANDS; MOLECULAR MODELING; PROTEINS; SOLVATION; STRUCTURAL DESIGN;

BIOACTIVE CONFORMATION; GENERALIZED BORN SURFACE AREAS (GBSA); IMPLICIT SOLVATION MODELS; IMPLICIT SOLVENT MODEL; MAJOR HISTOCOMPATIBILITY COMPLEX; PROTEIN-LIGAND COMPLEXES; RELATIVE BINDING ENERGIES; STRUCTURE-BASED DESIGNS;

BINDING ENERGY;

BLOOD CLOTTING FACTOR 10A; GLYCOPROTEIN; HLA ANTIGEN; LIGAND; PEPTIDOMIMETIC AGENT; PROTEIN; SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; ENTROPY; METABOLISM; PROTEIN BINDING; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; ENTROPY; FACTOR XA; GLYCOPROTEINS; HLA ANTIGENS; LIGANDS; MODELS, MOLECULAR; PEPTIDOMIMETICS; PROTEIN BINDING; PROTEINS; SOLVENTS;

EID: 79952127760     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100354x     Document Type: Article

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