Computational design of protein-small molecule interfaces

Journal of Structural Biology

Volumn 185, Issue 2, 2014, Pages 193-202

  Allison, Brittany ^a   Combs, Steven ^a   DeLuca, Sam ^b   Lemmon, Gordon ^b   Mizoue, Laura ^a,d   Meiler, Jens ^a,b,c,d,e  

^a Department of Chemistry ^*  (United States)

^b Program in Chemical and Physical Biology   (United States)

^c Eskind Biomedical Library   (United States)

^d Center for Structural Biology   (United States)

^e Institute of Chemical Biology   (United States)

Author keywords

Computational interface design; Ligand docking; Protein small molecule interaction; Rosetta; RosettaLigand; Sequence optimization

Indexed keywords

COMPUTATIONAL INTERFACE DESIGN; LIGAND DOCKING; PROTEIN-SMALL MOLECULE INTERACTION; ROSETTA; ROSETTALIGAND; SEQUENCE OPTIMIZATION;

ALGORITHMS; AMINO ACID SEQUENCE; BINDING SITES; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN ENGINEERING; PROTEINS; SOFTWARE;

EID: 84894929772     PISSN: 10478477     EISSN: 10958657     Source Type: Journal    
DOI: 10.1016/j.jsb.2013.08.003     Document Type: Article

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