Linear basis function approach to efficient alchemical free energy calculations. 2. Inserting and deleting particles with coulombic interactions. | J Chem Theory Comput;11(6): 2536-49, 2015 Jun 09. | MEDLINE

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Linear basis function approach to efficient alchemical free energy calculations. 2. Inserting and deleting particles with coulombic interactions.

Naden, Levi N; Shirts, Michael R.

Affiliation

Naden LN; Department of Chemical Engineering, University of Virginia , Charlottesville, Virginia 22904, United States.
Shirts MR; Department of Chemical Engineering, University of Virginia , Charlottesville, Virginia 22904, United States.

J Chem Theory Comput ; 11(6): 2536-49, 2015 Jun 09.

Article in En | MEDLINE | ID: mdl-26575553

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2015 Type: Article Affiliation country: United States

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2015 Type: Article Affiliation country: United States