Molecular Mechanism of Resistance to Kinase Inhibitors Clarified by a Binding Free Energy Computation Method and Its Improvement by Incorporating Protein Flexibility

Biophysical Journal - United States
doi 10.1016/j.bpj.2017.11.361
Full Text
Abstract

Available in full text

Categories
Biophysics
Date
Authors
Publisher

Elsevier BV

Related search

Probing Difference in Binding Modes of Inhibitors to MDMX by Molecular Dynamics Simulations and Different Free Energy Methods

PLoS ONE
Multidisciplinary
2015English

Investigations on Binding Pattern of Kinase Inhibitors With PPARγ: Molecular Docking, Molecular Dynamic Simulations, and Free Energy Calculation Studies

PPAR Research
Drug DiscoveryPharmacology
2017English

Mechanism of Topoisomerase II Inhibition by Staurosporine and Other Protein Kinase Inhibitors

Journal of Biological Chemistry
BiochemistryCell BiologyMolecular Biology
1996English

Overcoming Resistance to Inhibitors of the Akt Protein Kinase by Modulation of the Pim Kinase Pathway

2014English

Calculation of Protein-Ligand Binding Free Energy by Using a Polarizable Potential

Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
2008English

Curcumin Inhibits Protein Kinase C Activity by Binding to Its C1 Domain

English

Emulated Reactance and Resistance by a SSSC Incorporating Energy Storage Device

International Journal of Electrical and Computer Engineering
Electronic EngineeringElectricalComputer Science
2019English

Overcoming Resistance to HER2 Inhibitors Through State-Specific Kinase Binding

Nature Chemical Biology
Cell BiologyMolecular Biology
2016English

Analysis of Α4 Β1integrin Specific Antagonists Binding Modes: Structural Insights by Molecular Docking, Molecular Dynamics and Linear Interaction Energy Method for Free Energy Calculations

Journal of the Brazilian Chemical Society
Chemistry
2010English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy