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

• Discovery of new AKT1 inhibitors by combination of in silico structure based virtual screening approaches and biological evaluations JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2020), Filip Fratev, Denisse A. Gutierrez, Renato Aguilera, Ashish Tyagi, Chendil Damodaran, Suman Sirimulla.
• 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.
• An Improved Free Energy Perturbation FEP plus Sampling Protocol for Flexible Ligand-Binding Domains SCIENTIFIC REPORTS 9 (2019), Filip Fratev, Suman Sirimulla.
• 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.

• Screening over Billion compounds against SARS-CoV-2 proteins (2020), Volume Virtual, Suman Sirimulla.
• LigandNet: A Suite of Ligand Based Predictive Models for Activity and Property Prediction (2020), Volume Santa Fe, NM, Suman Sirimulla.
• LigandNet: A machine learning toolbox for predicting ligand activity towards therapeutically important proteins (2020), Volume Cambridge, MA, 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.

• PREM Supplement: Integrate Computational Expertise into Center for Advanced Materials Research (CMR) to Address COVID-19
• Identifying small molecule inhibitors of Axon degeneration via TMEM184b.