Protein-protein docking with simultaneous optimization of rigid-body displacement and side-chain conformations.

Gray, Jeffrey J; Moughon, Stewart; Wang, Chu; Schueler-Furman, Ora; Kuhlman, Brian; Rohl, Carol A; Baker, David

Gray, Jeffrey J; Moughon, Stewart; Wang, Chu; Schueler-Furman, Ora; Kuhlman, Brian; Rohl, Carol A; Baker, David.

Affiliation

Gray JJ; Howard Hughes Medical Institute and Department of Biochemistry, University of Washington, J-567 Health Sciences, Box 357350, Seattle, WA 98195, USA.

J Mol Biol ; 331(1): 281-99, 2003 Aug 01.

Article in En | MEDLINE | ID: mdl-12875852

Subject(s)

Algorithms; Models, Molecular; Proteins/chemistry; Antigen-Antibody Complex/chemistry; Computer Simulation; Enzyme Inhibitors/chemistry; Enzymes/chemistry; Hydrogen Bonding; Hydrophobic and Hydrophilic Interactions; Monte Carlo Method; Protein Binding; Protein Conformation; Solvents

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Database: MEDLINE Main subject: Algorithms / Proteins / Models, Molecular Type of study: Health_economic_evaluation / Prognostic_studies Language: En Journal: J Mol Biol Year: 2003 Type: Article Affiliation country: United States

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