Ray Unwalla
6PUBLICATIONS
8CO-AUTHORS
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Publications (6)
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|Feb 04, 2022
TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics.Brajesh K Rai, Vishnu Sresht, Qingyi Yang
|Oct 02, 2019
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations.Brajesh K Rai, Vishnu Sresht, Qingyi Yang
|Nov 14, 2018
Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.Agustin Casimiro-Garcia, John I Trujillo, Felix Vajdos
|Aug 22, 2018
Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.Mark E Schnute, Mattias Wennerstål, Jennifer Alley
|Jan 04, 2018
Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.Michael L Vazquez, Neelu Kaila, Joseph W Strohbach
|Jul 12, 2017
Structure-Based Approach To Identify 5-[4-Hydroxyphenyl]pyrrole-2-carbonitrile Derivatives as Potent and Tissue Selective Androgen Receptor Modulators.Ray Unwalla, James J Mousseau, Olugbeminiyi O Fadeyi
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