ASPDock: protein-protein docking algorithm using atomic solvation parameters model
نویسندگان
چکیده
منابع مشابه
Efficient electrostatic solvation model for protein-fragment docking.
A method is presented for the fast evaluation of the binding energy of a protein-small molecule complex with electrostatic solvation. It makes use of a fast preprocessing step based on the assumption that the main contribution to electrostatic desolvation upon ligand binding originates from the displacement of the first shell of water molecules. For a rigid protein, the precomputation of the en...
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ژورنال
عنوان ژورنال: BMC Bioinformatics
سال: 2011
ISSN: 1471-2105
DOI: 10.1186/1471-2105-12-36