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Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery.
Sabanés Zariquiey, Francesc; Jacoby, Edgar; Vos, Ann; van Vlijmen, Herman W T; Tresadern, Gary; Harvey, Jeremy.
Afiliação
  • Sabanés Zariquiey F; Department of Chemistry, KU Leuven, Celestijnenlaan 200F, 3001 Leuven, Belgium.
  • Jacoby E; Computational Chemistry, Janssen Research & Development, Turnhoutseweg 30, B-2340 Beerse, Belgium.
  • Vos A; Computational Chemistry, Janssen Research & Development, Turnhoutseweg 30, B-2340 Beerse, Belgium.
  • van Vlijmen HWT; Computational Chemistry, Janssen Research & Development, Turnhoutseweg 30, B-2340 Beerse, Belgium.
  • Tresadern G; Computational Chemistry, Janssen Research & Development, Turnhoutseweg 30, B-2340 Beerse, Belgium.
  • Harvey J; Department of Chemistry, KU Leuven, Celestijnenlaan 200F, 3001 Leuven, Belgium.
J Chem Inf Model ; 62(3): 533-543, 2022 02 14.
Article em En | MEDLINE | ID: mdl-35041430
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies / Observational_studies / Prognostic_studies / Screening_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies / Observational_studies / Prognostic_studies / Screening_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article