Computational protein-ligand docking and virtual drug screening with the AutoDock suite (original) (raw)
Related papers
Comparative Study of the Efficiency of Three Protein-Ligand Docking Programs
Journal of Proteomics & Bioinformatics, 2008
AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility
PLOS Computational Biology, 2015
Molecular Docking: An Explanatory Approach in Structure-Based Drug Designing and Discovery
International Journal of Pharmacy and Pharmaceutical Sciences, 2021
Outstanding challenges in protein-ligand docking and structure-based virtual screening
Wiley Interdisciplinary Reviews: Computational Molecular Science, 2011
Molecular Docking: A Novel Appliance for Structure Based Drug Discovery
2020
Key Topics in Molecular Docking for Drug Design
International Journal of Molecular Sciences
Pharmacophore-based molecular docking to account for ligand flexibility
Proteins: Structure, Function, and Genetics, 2003
International Journal of Pharmacy and Pharmaceutical Sciences (IJPPS)
International Journal of Pharmacy and Pharmaceutical Sciences, 2021
Ph4Dock: pharmacophore-based protein-ligand docking
Journal of medicinal chemistry, 2004
Molecular docking: a powerful approach for structure-based drug discovery
Current computer-aided drug design, 2011
Ligand—protein docking and rational drug design
Current Opinion in Structural Biology, 1995
Molecular Docking: Challenges, Advances and its Use in Drug Discovery Perspective
Current Drug Targets, 2019
Computational Molecular Docking Methods in Drug Discovery: Recent Advances and Software
European Chemical Bulletin, 2023
MetaDOCK: A Combinatorial Molecular Docking Approach
ACS Omega, 2023
BMC Bioinformatics, 2008
Structure-Based Drug Design: Docking and Scoring
Advances in molecular modeling and docking as a tool for modern drug discovery
Computational Docking Technique for Drug Discovery: A Review
Research Journal of Pharmacy and Technology
Molecular Docking in Drug Discovery
Dr. Santosh R Butle, Rani Bhagat
Journal of Pharmaceutical Research, 2021
Docking and scoring in virtual screening for drug discovery: methods and applications
Nature Reviews Drug Discovery, 2004
Docking and chemoinformatic screens for new ligands and targets
Current Opinion in Biotechnology, 2009
A Review on Molecular Docking: Novel Tool for Drug Discovery
Docking, virtual high throughput screening and in silico fragment-based drug design
Journal of Cellular and Molecular Medicine, 2009
Ligand docking and binding site analysis with PyMOL and Autodock/Vina
Journal of Computer-Aided Molecular Design, 2010
Molecular Diversity
VoteDock: Consensus docking method for prediction of protein-ligand interactions
Journal of Computational Chemistry, 2011
Protein Docking and Drug Design
Biotechnology, 2019
Comparative study of several algorithms for flexible ligand docking
Journal of Computer-Aided Molecular Design, 2003
2000
MOLECULAR DOCKING AND ITS APPLICATION TOWARDS MODERN DRUG DISCOVERY