H-bond network optimization in protein-protein complexes: Are all-atom force field scores enough?

Proteins: Structure, Function and Bioinformatics

Volumn 80, Issue 3, 2012, Pages 818-824

  Masone, Diego ^a   Cabeza de Vaca, Israel ^a   Pons, Carles ^a   Recio, Juan Fernandez ^a   Guallar, Victor ^a,b  

^a INSTITUTE FOR RESEARCH IN BIOMEDICINE   (Spain)

^b INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

Docking refinement; Hierarchical protocol; Implicit solvent; Near native solutions

Indexed keywords

ARTICLE; ATOMIC PARTICLE; HYDROGEN BOND; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN INTERACTION; PROTEIN STRUCTURE; SAMPLING;

COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; SOLVENTS;

EID: 84856794664     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.23239     Document Type: Article

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