Molecular docking and molecular dynamics simulation
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Publisher
Elsevier
Reference106 articles.
1. Molecular dynamics: Survey of methods for simulating the activity of proteins;Adcock;Chemical Reviews,2006
2. Druggability and drug-likeness concepts in drug design: Are biomodelling and predictive tools having their say?;Agoni;Journal of Molecular Modeling,2020
3. Principles of flexible protein–protein docking;Andrusier;Proteins: Structure, Function, and Bioinformatics,2008
4. Machine-learning scoring functions for identifying native poses of ligands docked to known and novel proteins;Ashtawy;BMC Bioinformatics,2015
5. Computational fragment-based drug design: Current trends, strategies, and applications;Bian;The AAPS Journal,2018
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