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.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 39(2018), 32 vom: 15. Dez., Seite 2679-2689
1. Verfasser: Araki, Mitsugu (VerfasserIn)
Weitere Verfasser: Iwata, Hiroaki, Ma, Biao, Fujita, Atsuto, Terayama, Kei, Sagae, Yukari, Ono, Fumie, Tsuda, Koji, Kamiya, Narutoshi, Okuno, Yasushi
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2018
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte: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 mehr... EC 2.7.11.22 Cyclin-Dependent Kinase 2
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