Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation.

Lenselink, Eelke B; Louvel, Julien; Forti, Anna F; van Veldhoven, Jacobus P D; de Vries, Henk; Mulder-Krieger, Thea; McRobb, Fiona M; Negri, Ana; Goose, Joseph; Abel, Robert; van Vlijmen, Herman W T; Wang, Lingle; Harder, Edward; Sherman, Woody; IJzerman, Adriaan P; Beuming, Thijs

Lenselink, Eelke B; Louvel, Julien; Forti, Anna F; van Veldhoven, Jacobus P D; de Vries, Henk; Mulder-Krieger, Thea; McRobb, Fiona M; Negri, Ana; Goose, Joseph; Abel, Robert; van Vlijmen, Herman W T; Wang, Lingle; Harder, Edward; Sherman, Woody; IJzerman, Adriaan P; Beuming, Thijs.

Afiliação

Lenselink EB; Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, Leiden 2300 RA, The Netherlands.
Louvel J; Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, Leiden 2300 RA, The Netherlands.
Forti AF; Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, Leiden 2300 RA, The Netherlands.
van Veldhoven JPD; Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, Leiden 2300 RA, The Netherlands.
de Vries H; Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, Leiden 2300 RA, The Netherlands.
Mulder-Krieger T; Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, Leiden 2300 RA, The Netherlands.
McRobb FM; Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States.
Negri A; Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States.
Goose J; Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States.
Abel R; Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States.
van Vlijmen HWT; Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, Leiden 2300 RA, The Netherlands.
Wang L; Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States.
Harder E; Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States.
Sherman W; Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States.
IJzerman AP; Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, Leiden 2300 RA, The Netherlands.
Beuming T; Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States.

ACS Omega ; 1(2): 293-304, 2016 Aug 31.

Article em En | MEDLINE | ID: mdl-30023478

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: ACS Omega Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Holanda

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