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• Ph D in Chemistry, The University of Texas at El Paso (2010)

• A comprehensive review of cytochrome P450 2E1 for xenobiotic metabolism DRUG METABOLISM REVIEWS 51 2 (2019), Jingxuan Chen, Sibo Jiang, Jin Wang, Jwala Renukuntla, Suman Sirimulla, Jianjun Chen.
• Developing small molecule inhibitors that target androgen receptor signaling in castration-resistant prostate cancer CANCER RESEARCH 79 13 (2019), Balaji Chandrasekaran, Ashish Tyagi, Venkatesh Kolluru, Aakash M. Vadhanam, von Baby, Becca, Suresh Gorle, Suman Sirimulla, Srinivasa R. Ramisetti, Arun K. Sharma, Murali K. Ankem, Chendil Damodaran.
• Discovery of GlyT2 Inhibitors Using Structure-Based Pharmacophore Screening and Selectivity Studies by FEP plus Calculations ACS MEDICINAL CHEMISTRY LETTERS 10 6 (2019), Filip Fratev, Manuel Miranda-Arango, Ashley B. Lopez, Elvia Padilla, Suman Sirimulla.
• Discovery of New AKT1 Inhibitors by Combination of In silico Structure Based Virtual Screening Approaches and Biological Evaluations chemRxiv (2019), Filip Fratev, Denisse A. Guiterrez, Renato Aguilera, Suman Sirimulla.
• An Improved Free Energy Perturbation FEP+ Sampling Protocol for Flexible Ligand-Binding Domains ChemRxiv (2018), Filip Fratev, Suman Sirimulla.

• LigandNet: A Machine Learning Toolkit for Predicting Protein-Ligand Activity (2019), Volume San Antonio, Tx, Suman Sirimulla.
• Exploring Pharos to Develop Ligand-Based Virtual Screening Models (2019), Volume Albuquerque, NM, Suman Sirimulla.
• LigandNet: A Machine-Learning Based Toolkit for Predicting Ligand Activity to Proteins (2019), Volume West Dover, VT, Md Mahmudulla Hassan, Dewan Shrestha, Daniel Mogollon-castaneda, suman sirimulla.
• OpenDMPK: an open toolkit for the prediction of pharmacokinetic properties (2019), Volume Holderness, NH, Md Mahmudulla Hassan, Dewan Shrestha, Daniel Mogollon-castaneda, suman sirimulla.
• In-silico modelling and functional analysis of the Drosophila melanogaster putative glycine transporter (2019), Volume New Hampshire, Ashley B. Lopez, Elvia Padilla, Filip Fratev, Suman Sirimulla, Manuel Miranda-Arango.

• Identifying small molecule inhibitors of Axon degeneration via TMEM184b.