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Ray Unwalla

6PUBLICATIONS

8CO-AUTHORS

Theoretical quantum chemistryBiomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsBiologically active molecules

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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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Frequent Collaborators

2 joint publications

Ralph P Robinson

2 joint publications

Brajesh K Rai

2 joint publications

Qingyi Yang

1 joint publications

Olugbeminiyi O Fadeyi

1 joint publications

Michael L Vazquez

1 joint publications

Mark E Schnute

1 joint publications

Philippe Nuhant

1 joint publications

Agustin Casimiro-Garcia

Frequent Collaborators

2 joint publications

Ralph P Robinson

2 joint publications

Brajesh K Rai

2 joint publications

Qingyi Yang

1 joint publications

Olugbeminiyi O Fadeyi

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