Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations
Author:
Funder
European Commission
Alexander von Humboldt Foundation
Klaus Tschira Foundation
Publisher
Elsevier BV
Subject
Molecular Biology,Structural Biology
Reference26 articles.
1. Kinetics of drug binding and residence time;Bernetti;Annu. Rev. Phys. Chem.,2019
2. New approaches for computing ligand-receptor binding kinetics;Bruce;Curr. Opin. Struct. Biol.,2018
3. Exhaustive search of ligand binding pathways via volume-based metadynamics;Capelli;J. Phys. Chem. Lett.,2019
4. The drug-target residence time model: a 10-year retrospective;Copeland;Nat. Rev. Drug Discov.,2016
5. Capturing protein-ligand recognition pathways in coarse-grained simulation;Dandekar;J. Phys. Chem. Lett.,2020
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