Matthew P. Repasky
Schrodinger (United States)(US)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Structure and Dynamics, Machine Learning in Materials Science, Advanced Chemical Physics Studies, Free Radicals and Antioxidants
Most-Cited Works
- → Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy(2004)9,716 cited
- → Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes(2006)6,737 cited
- → Integrated Modeling Program, Applied Chemical Theory (IMPACT)(2005)1,487 cited
- → Efficient Exploration of Chemical Space with Docking and Deep Learning(2021)375 cited
- → PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods(2002)295 cited
- → Epik: p K a and Protonation State Prediction through Machine Learning(2023)278 cited
- → Flexible Ligand Docking with Glide(2007)249 cited
- → Autoqsar: An Automated Machine Learning Tool for Best-Practice Quantitative Structure–Activity Relationship Modeling(2016)184 cited
- → Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide(2012)156 cited
- → Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery(2023)110 cited