Robert Abel
Schrodinger (United States)(US)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Structure and Dynamics, Machine Learning in Materials Science, Chemical Synthesis and Analysis, Mass Spectrometry Techniques and Applications
Most-Cited Works
- → Comparison of multiple Amber force fields and development of improved protein backbone parameters(2006)7,008 cited
- → OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins(2015)3,072 cited
- → OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space(2021)1,755 cited
- → Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field(2015)1,348 cited
- → OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules(2019)1,236 cited
- → The VSGB 2.0 model: A next generation energy model for high resolution protein structure modeling(2011)1,108 cited
- → Motifs for molecular recognition exploiting hydrophobic enclosure in protein–ligand binding(2007)699 cited
- → Role of the Active-Site Solvent in the Thermodynamics of Factor Xa Ligand Binding(2008)669 cited
- → Docking Covalent Inhibitors: A Parameter Free Approach To Pose Prediction and Scoring(2014)452 cited
- → Efficient Exploration of Chemical Space with Docking and Deep Learning(2021)375 cited