Molecular Dynamics Simulations of p97 Including Covalent, Allosteric and ATP-competitive Inhibitors

Molecular Dynamics Simulations of p97 Including Covalent, Allosteric and ATP-competitive Inhibitors

Binary (nucleotide-protein dimer and hexamer complexes) and ternary (nucleotide-protein-inhibitor complexes) p97 complexes were subjected to molecular dynamics simulations in an attempt to further our understanding of the p97 protein oligomer domain stability and, more importantly, of the recently r...

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Bibliographic Details
Main Authors: Stefano Rendine, Christian Orrenius, Federico Dapiaggi, Stefano Pieraccini, Ilaria Motto, Roberto D'Alessio, Paola Magnaghi, Antonella Isacchi, Eduard Felder, Maurizio Sironi
Format: Article
Language:English
Published: Slovenian Chemical Society 2019-06-01
Series:Acta Chimica Slovenica
Subjects:
Drug design
protein protein interactions
mm-pbsa
molecular dynamics
Online Access:https://journals.matheo.si/index.php/ACSi/article/view/4880

Internet

https://journals.matheo.si/index.php/ACSi/article/view/4880

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