Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics Simulations
Author:
Affiliation:
1. Department of Pharmacy and Biotechnology, Alma Mater Studiorum−Università di Bologna, Via Belmeloro 6, 40126, Bologna, Italy
2. CompuNet, Istituto Italiano di Tecnologia, Via Morego 30, 16163, Genova, Italy
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.7b00674
Reference69 articles.
1. Computational Methods in Drug Discovery
2. Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
3. Improved protein-ligand docking using GOLD
4. Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
5. Implications of protein flexibility for drug discovery
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