Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach

Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach

© 2018 Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 39(2018), 32 vom: 15. Dez., Seite 2679-2689
Auteur principal: Araki, Mitsugu (Auteur)
Autres auteurs: Iwata, Hiroaki, Ma, Biao, Fujita, Atsuto, Terayama, Kei, Sagae, Yukari, Ono, Fumie, Tsuda, Koji, Kamiya, Narutoshi, Okuno, Yasushi
Format: Article en ligne
Langue:English
Publié: 2018
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't in-silico drug discovery molecular docking molecular dynamics simulation protein the binding free energy Ligands Protein Kinase Inhibitors CDK2 protein, human plus... EC 2.7.11.22 Cyclin-Dependent Kinase 2
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