Alexander Heifetz

Accurate calculation of the absolute free energy of binding for drug molecules

Matteo Aldeghi, Alexander Heifetz, Michael J. Bodkin et al. · Chemical Science · 2015 · 392 citations · Full text

Predictions of Ligand Selectivity from Absolute Binding Free Energy Calculations

Matteo Aldeghi, Alexander Heifetz, Michael J. Bodkin et al. · Journal of the American Chemical Society · 2016 · 194 citations · Full text

Drug Target, Engineering, Computational Chemistry +17

Optical methodology for detecting histologically unapparent nanoscale consequences of genetic alterations in biological cells

Hariharan Subramanian, Prabhakar Pradhan, Yang Liu et al. · Proceedings of the National Academy of Sciences · 2008 · 149 citations · Full text

Biological Cells, Colon Carcinogenesis, Engineering +15

G protein-coupled receptors: <i>In silico</i> drug discovery in 3D

Oren M. Becker, Yael Marantz, Sharon Shacham et al. · Proceedings of the National Academy of Sciences · 2004 · 146 citations · Full text

An Integrated in Silico 3D Model-Driven Discovery of a Novel, Potent, and Selective Amidosulfonamide 5-HT_1A Agonist (PRX-00023) for the Treatment of Anxiety and Depression

Oren M. Becker, Dale Dhanoa, Yael Marantz et al. · Journal of Medicinal Chemistry · 2006 · 140 citations · Full text