Activation of Abl1 Kinase Explored Using Well-Tempered Metadynamics Simulations on an Essential Dynamics Sampled Path
Author:
Affiliation:
1. Department of Chemistry and Biomedical Sciences, Faculty of Health and Life Sciences, Linnæus University, 391 82 Kalmar, Sweden
Funder
Cancerfonden
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00505
Reference54 articles.
1. Pepsinogen-like activation intermediate of plasmepsin II revealed by molecular dynamics analysis
2. Protein Folding Pathways Revealed by Essential Dynamics Sampling
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4. Exploring Transition Pathway and Free-Energy Profile of Large-Scale Protein Conformational Change by Combining Normal Mode Analysis and Umbrella Sampling Molecular Dynamics
5. Protein Conformational Transitions: The Closure Mechanism of a Kinase Explored by Atomistic Simulations
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