Dmitry Lupyan
Schrodinger (United States)(US)Schrodinger (United States)(US)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, RNA and protein synthesis mechanisms, Enzyme Structure and Function, DNA and Nucleic Acid Chemistry
Most-Cited Works
- → OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins(2015)3,072 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
- → A new progressive-iterative algorithm for multiple structure alignment(2005)145 cited
- → An Analysis of Core Deformations in Protein Superfamilies(2004)126 cited
- → A Role for a Specific Cholesterol Interaction in Stabilizing the Apo Configuration of the Human A 2A Adenosine Receptor(2009)118 cited
- → Phosphoinositide-mediated gating of inwardly rectifying K+ channels(2007)112 cited
- → A Molecular Dynamics Investigation of Lipid Bilayer Perturbation by PIP2(2010)78 cited
- → Improving the Accuracy of Protein Thermostability Predictions for Single Point Mutations(2020)70 cited
- → Diverse Kir modulators act in close proximity to residues implicated in phosphoinositide binding(2007)54 cited
- → Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics(2019)46 cited