Dmitry Lupyan

Schrodinger LLC - - / United States

Natural Sciences / Molecular Biology & Genetics

AD Scientific Index ID: 4522877

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Dmitry Lupyan's MOST POPULAR ARTICLES

1-) OPLS3: a force field providing broad coverage of drug-like small molecules and proteins Journal of chemical theory and computation 12 (1), 281-296, 2016

2-) 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 Journal of the American Chemical Society 137 (7), 2695-2703, 2015

3-) A new progressive-iterative algorithm for multiple structure alignment Bioinformatics 21 (15), 3255-3263, 2005

4-) An analysis of core deformations in protein superfamilies Biophysical journal 88 (2), 1291-1299, 2005

5-) Phosphoinositide-mediated gating of inwardly rectifying K+ channels Pflügers Archiv-European Journal of Physiology 455 (1), 83-95, 2007

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