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Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability Estimation.
Capoferri, Luigi; Verkade-Vreeker, Marlies C A; Buitenhuis, Danny; Commandeur, Jan N M; Pastor, Manuel; Vermeulen, Nico P E; Geerke, Daan P.
Afiliação
  • Capoferri L; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.
  • Verkade-Vreeker MC; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.
  • Buitenhuis D; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.
  • Commandeur JN; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.
  • Pastor M; Research Programme on Biomedical Informatics (GRIB), Department of Experimental and Health Sciences, Universitat Pompeu Fabra, IMIM (Hospital del Mar Medical Research Institute), Dr. Aiguader, 88, E-08003 Barcelona, Spain.
  • Vermeulen NP; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.
  • Geerke DP; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.
PLoS One ; 10(11): e0142232, 2015.
Article em En | MEDLINE | ID: mdl-26551865
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Citocromo P-450 CYP1A2 Idioma: En Ano de publicação: 2015 Tipo de documento: Article
Texto completo
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XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Citocromo P-450 CYP1A2 Idioma: En Ano de publicação: 2015 Tipo de documento: Article