A 3D-QSAR of Angiotensin II (AT1) Receptor Antagonists Based on Receptor Surface Analysis. - Prasanna A. Datar; Prashant V. Desai; Evans C. Coutinho (J. Chem. Inf. Model., 2004)

Probing the Structures of Leishmanial Farnesyl Pyrophosphate Synthases: Homology Modeling and Docking Studies. - Prasenjit Mukherjee; Prashant V. Desai; Anuradha Srivastava; Babu L. Tekwani; Mitchell A. Avery (J. Chem. Inf. Model., 2008)

Targeting the BH3 Domain Mediated Protein-Protein Interaction of Bcl-xL through Virtual Screening. - Prasenjit Mukherjee; Prashant V. Desai; Yu-Dong Zhou; Mitchell A. Avery (J. Chem. Inf. Model., 2010)

Inhibitors of SARS-3CLpro: Virtual Screening, Biological Evaluation, and Molecular Dynamics Simulation Studies. - Prasenjit Mukherjee; Falgun Shah; Prashant V. Desai; Mitchell A. Avery (J. Chem. Inf. Model., 2011)

Metabolic-intermediate complex formation with cytochrome P450: Theoretical studies in elucidating the reaction pathway for the generation of reactive nitroso intermediate. - Nikhil Taxak; Prashant V. Desai; Bhargav Patel; Michael Mohutsky; Valentine J. Klimkowski; Vijay Gombar; Prasad V. Bharatam (J. Comput. Chem., 2012)

QSAR Model of Unbound Brain-to-Plasma Partition Coefficient, Kp, uu, brain: Incorporating P-glycoprotein Efflux as a Variable. - Elena Dolgikh; Ian A. Watson; Prashant V. Desai; Geri A. Sawada; Stuart Morton; Timothy M. Jones 003; Thomas J. Raub (J. Chem. Inf. Model., 2016)

Exploring Tunable Hyperparameters for Deep Neural Networks with Industrial ADME Data Sets. - Yadi Zhou; Suntara Cahya; Steven A. Combs; Christos A. Nicolaou; Ji-Bo Wang; Prashant V. Desai; Jie Shen 006 (J. Chem. Inf. Model., 2019)

The Derivation of a Matched Molecular Pairs Based ADME/Tox Knowledge Base for Compound Optimization. - James A. Lumley; Prashant V. Desai; Ji-Bo Wang; Suntara Cahya; Hongzhou Zhang (J. Chem. Inf. Model., 2020)