Interactive Flexible-Receptor Molecular Docking in Virtual Reality Using DockIT
Author:
Affiliation:
1. Digital Platforms, Aviva Plc, Norwich, NorfolkNR1 3NS, United Kingdom
2. School of Computing Sciences, University East Anglia, NorwichNR4 7TJ, United Kingdom
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.2c01274
Reference29 articles.
1. Computational protein–ligand docking and virtual drug screening with the AutoDock suite
2. ZDOCK server: interactive docking prediction of protein-protein complexes and symmetric multimers
3. HADDOCK: A Protein−Protein Docking Approach Based on Biochemical or Biophysical Information
4. Benchmarking the Ability of Common Docking Programs to Correctly Reproduce and Score Binding Modes in SARS-CoV-2 Protease Mpro
5. Brooks, F. P.; Ouh-Young, M.; Batter, J. J.; Kilpatrick, P. J.Project GROPE Haptic Displays for Scientific Visualization. In Proceedings of the 17th Annual Conference on Computer Graphics and Interactive Techniques, 1990; Vol. 24, Issue, 4; pp 177–185.
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