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Decisive role of water and protein dynamics in residence time of p38α MAP kinase inhibitors.
Pantsar, Tatu; Kaiser, Philipp D; Kudolo, Mark; Forster, Michael; Rothbauer, Ulrich; Laufer, Stefan A.
Afiliação
  • Pantsar T; Department of Pharmaceutical and Medicinal Chemistry, Institute of Pharmaceutical Sciences, Eberhard Karls Universität Tübingen, Auf der Morgenstelle 8, 72076, Tuebingen, Germany.
  • Kaiser PD; School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, Yliopistonranta 1, 70210, Kuopio, Finland.
  • Kudolo M; NMI Natural and Medical Sciences Institute at the University of Tuebingen, Markwiesenstrasse 55, 72770, Reutlingen, Germany.
  • Forster M; Department of Pharmaceutical and Medicinal Chemistry, Institute of Pharmaceutical Sciences, Eberhard Karls Universität Tübingen, Auf der Morgenstelle 8, 72076, Tuebingen, Germany.
  • Rothbauer U; Department of Pharmaceutical and Medicinal Chemistry, Institute of Pharmaceutical Sciences, Eberhard Karls Universität Tübingen, Auf der Morgenstelle 8, 72076, Tuebingen, Germany.
  • Laufer SA; NMI Natural and Medical Sciences Institute at the University of Tuebingen, Markwiesenstrasse 55, 72770, Reutlingen, Germany.
Nat Commun ; 13(1): 569, 2022 01 28.
Article em En | MEDLINE | ID: mdl-35091547
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Conformação Proteica / Água / Proteína Quinase 14 Ativada por Mitógeno / Inibidores Enzimáticos / Simulação de Dinâmica Molecular Limite: Humans 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 Assunto principal: Conformação Proteica / Água / Proteína Quinase 14 Ativada por Mitógeno / Inibidores Enzimáticos / Simulação de Dinâmica Molecular Limite: Humans Idioma: En Ano de publicação: 2022 Tipo de documento: Article