MMGBSA as a tool to understand the binding affinities of filamin-peptide interactions

Journal of Chemical Information and Modeling

Volumn 53, Issue 10, 2013, Pages 2626-2633

  Ylilauri, Mikko ^a   Pentikäinen, Olli T ^a  

^a UNIVERSITY OF JYVÄSKYLÄ   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY; GLYCOPROTEINS; LIGANDS; MOLECULAR DYNAMICS; PEPTIDES; SCAFFOLDS (BIOLOGY);

ACTIN-BINDING DOMAINS; COMPUTATIONAL RESULTS; FREE-ENERGY CALCULATIONS; GENERALIZED BORN SURFACE AREAS (GBSA); IMMUNOGLOBULIN-LIKE DOMAINS; LIGAND-BINDING SITES; PROTEIN-PROTEIN INTERACTIONS; STEERED MOLECULAR DYNAMICS;

BINDING ENERGY;

BETA INTEGRIN; BETA7 INTEGRIN; CD18 ANTIGEN; CELL ADHESION MOLECULE; CYTOSKELETON PROTEIN; FBLIM1 PROTEIN, HUMAN; FILAMIN; FLNA PROTEIN, HUMAN; LIGAND; PEPTIDE; THROMBIN RECEPTOR;

ALGORITHM; ARTICLE; BINDING SITE; CHEMISTRY; HUMAN; MOLECULAR DYNAMICS; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN DOMAIN; PROTEIN SECONDARY STRUCTURE; THERMODYNAMICS;

ALGORITHMS; ANTIGENS, CD18; BINDING SITES; CELL ADHESION MOLECULES; CYTOSKELETAL PROTEINS; FILAMINS; HUMANS; INTEGRIN BETA CHAINS; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PLATELET GLYCOPROTEIN GPIB-IX COMPLEX; PROTEIN BINDING; PROTEIN INTERACTION DOMAINS AND MOTIFS; PROTEIN INTERACTION MAPPING; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS;

EID: 84887037543     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci4002475     Document Type: Article

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