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• ACS COMP/Wiley Outstanding Undergraduate Research Poster - American chemical Society COMP Division (03/15/2016)

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

• Multi-layer Combinatorial Fusion using Cognitive Diversity IEEE Access 9 (2020), Landon Hurley, Suman Sirimulla, Bruce Kristal, Christina Schewikert, Debrau F. Hsu.
• DrugCentral 2021 supports drug discovery and repositioning Nucleic Acids Research 49 D1 (2020), Sorin Avram, Christian G. Bologa, Jayme Holmes, Giovanni Bocci, Thomas B. Wilson, DAC-Trung Nguyen, Ramona Curpan, Jeremy J. Yang, Suman Sirimulla, Oleg Ursu, Tudor I. Oprea.
• REDIAL-2020: A Suite of Machine Learning Models to Estimate Anti-SARS-CoV-2 Activities ChemRxiv : the preprint server for chemistry (2020), Govinda Kc, Giovanni Bocci, Srijan Verma, Mahmudulla Hassan, Jayme Holmes, Jeremy Yang, Suman Sirimulla, Tudor I. Oprea.
• 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.
• Scaffold Analysis of Ligands Exhibiting GPCR Signaling Bias ChemRxiv (2020), Jason Sanchez, Govinda KC, Julian Franco, Suman Sirimulla.
• Combining Multiple Ranking Systems on the Generalized Permutation Rank Space 5th IEEE Data Computing and Intelligence Conference (2019), Suman Sirimulla, Landon Hurley, Xinliang Zhong, Christina Schweikert, D. Frank Hsu.
• 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.
• DLSCORE: A Deep Learning Model for Predicting Protein-Ligand Binding Affinities ChemRxiv (2018), Md Mahmudulla Hassa, Daniel castaneda-Mogollon, Olac Fuentes, Sirimulla.
• Looking Back, Looking Forward at Halogen Bonding in Drug Discovery Molecules 22 9 (2017), Lois Mendez, Gabriela Henriquez, Suman Sirimulla, Mahesh Narayan.
• S···O and S···N Sulfur Bonding Interactions in Protein–Ligand Complexes: Empirical Considerations and Scoring Function Journal of Chemical Information and Modeling 56 12 (2016), Mathew R. Koebel, Aaron Cooper, Grant Schmadeke, Soyoung Jeon, Mahesh Narayan, Suman Sirimulla.
• Targeting aberrant expression of Notch-1 in ALDH+ cancer stem cells in breast cancer Molecular Carcinogenesis 56 3 (2016), Deeksha Pal, Venkatesh Kolluru, Balaji Chandrasekaran, Becca V. Baby, Masarath Aman, Suman Suman, Suman Sirimulla, Mary A. Sanders, Houda Alatassi, Murali K. Ankem, Chendil Damodaran.
• Withaferin-A suppress AKT induced tumor growth in colorectal cancer cells. Oncotarget 7 12 (2016), S Suman, T P. Das, Suman Sirimulla, H Alatassi, M K. Ankem, C Damodaran.
• BioNetFit: a fitting tool compatible with BioNetGen, NFsim and distributed computing environments. Bioinformatics (Oxford, England) 32 5 (2016), B R. Thomas, L A. Chylek, J Colvin, Suman Sirimulla, A H. Clayton, W S. Hlavacek, R G. Posner.
• AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina. Journal of cheminformatics 8 (2016), M R. Koebel, G Schmadeke, R G. Posner, Suman Sirimulla.

• OpenDMPK: an open source toolkit for prediction of Drug Metabolism and Pharmacokinetic Properties (2020), Volume Virtual, Suman Sirimulla.
• Oral Presentation (2020), Volume Austin (Virtual), 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.
• 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.
• Developing small molecule Inhibitors that target androgen receptor signaling in castration-resistant prostate cancer (2019), Volume Atlanta, Georgia, Balaji Chanrasekaran, Ashish Tyagi, Venkatesh Kolluru, Aakash M. Vadhanam, Becca Von Baby, Suresh Gorle, Suman Sirimulla, Srinivasa R. Ramishetty, Arun K. Sharma, Murali K. Ankem, Chendil Damodaran.
• LigandNet: A Machine-Learning Based Toolkit for Predicting Ligand Activity to Proteins (2019), Volume Santa Fe, NM, Daniel Castaneda Mogollon, Ricardo Avila, Md Mahmudulla Hassan, Daniel Mogollon-castaneda, Dewan Shrestha, Suman Sirimulla.
• Modeling of allosteric and drug binding pathway of Human Thromboxane A2 Receptor (2019), Volume Ventura, California, Suresh Gorle, Fadi Khasawneh, suman sirimulla.
• Deep Learning Application for Predicting Drug Metabolism and Pharmacokinetic Properties (2018), Volume Washington, DC, Suman Sirimulla.
• LigandNet: A Machine-Learning Based Toolkit for Predicting Ligand Activity to Proteins (2018), Volume Albuqurque, NM, Mahmudulla Hassan, Daniel Castaneda, Dewan Shresta, Ibrahim Salama, Suman Sirimulla.
• LigandNet: A Machine-Learning Based Toolkit for Predicting Ligand Activity to Proteins (2018), Volume El Paso, Denise cano, Daniel Castaneda Mogollon, Govinda KC, Dewan Shreshta, Md Mahmudulla Hassan, Suman Sirimulla.
• Automated workflow for reproducible analysis of protein-ligand scoring functions (2018), Volume Boston, MA, Daniel Castaneda, Md Mahmudulla Hassan, Suman Sirimulla, .
• Deep learning based model for estimating binding affinities (2018), Volume Boston, MA, Md Mahmudulla Hassan, Suman Sirimulla, Daniel Castaneda, .
• Novel Drug Discovery of PHAROS Based TBio Proteins (2018), Volume El Paso, Ibrahim Salama, Claire Govea, Suresh Gorle, Suman Sirimulla.
• LigandNet: A Machine-Learning Based Toolkit for Predicting Ligand Activity to Proteins (2018), Volume El Paso, Denise cano, Daniel Castaneda Mogollon, Govinda KC, Dewan Shreshta, Md Mahmudulla Hassan, Suman Sirimulla.
• Identification of Lead Compounds of CXCR6 Using In Silico Approaches (2018), Volume El Paso, Tx, Ibrahim Salama, Suman Sirimulla.
• OpenDMPK: an open toolkit for the prediction of drug pharmacokinetic and metabolic properties (2018), Volume El Paso, Tx, Daniel castaneda, Dewan Shreshta, Md Mahmudulla Hassan, Suman Sirimulla.
• Deep Learning Model for Predicting Protein-Ligand Binding Affinities (2018), Volume El Paso, Texas, Md Mahmudulla Hassan, Olac Fuentes, Suman Sirimulla.
• Identification of lead compounds of CXCR6 using in silico approaches (2018), Volume El Paso, Texas, Ibrahim Salama, Suman Sirimulla.
• In silico techniques used in the Drug Discovery of Corticotropin-releasing factor receptor 2 (CRHR2) (2018), Volume El Paso, Texas, Claire Govea, Suman Sirimulla.
• Modeling of allosteric and drug binding pathway of Human Thromboxane A2 Receptor (2018), Volume El Paso, Texas, Suresh Gorle, Fadi Khasawneh, Suman Sirimulla.
• OpenDMPK: an open toolkit for the prediction of drug pharmacokinetic and metabolic properties (2018), Volume El Paso, Texas, Ricardo Avila, Md Mahmudulla Hassan, Daniel castaneda Mogolon, Suman Sirimulla.
• DLScore: New deep learning based scoring function for reliable protein-ligand scoring (2018), Volume New Orleans, LA, Suman Sirimulla, Gerardo Muela, Olac Fuentes.
• Automated workflow for reproducible analysis of protein-ligand scoring functions (2018), Volume Santa Fe, NM, Daniel Castaneda Mogollon, Ricardo Avila, Md Mahmudulla Hassan, Suman Sirimulla.
• DLScore: A deep learning scoring function for predicting protein–ligand binding affinities (2018), Volume Santa Fe, NM, Md Mahmudulla Hassan, Daniel Castaneda Mogollon, Olac Fuentes, Suman Sirimulla.
• Characterization and Modelling of a Putative Glycine Transporter in Drosophila Melanogaster (2017), Volume Washington, DC, Asley B. Lopez, Filip F. Fratev, Suman Sirimulla, Manuel Miranda-Arango.
• Deep Learning Algorithm for Reliable Protein Ligand Scoring (2017), Volume UTEP, Suman Sirimulla.
• Efficient structure-based protocol for lead identification (2017), Volume Lubbock, Tx, Suman Sirimulla, Filip Fratev.
• Efficient Protocols for Computer Aided Drug Discovery Research (2017), Volume UTEP , Suman Sirimulla.
• Identification of Akt1 inhibitors for the treatment of colorectal cancer (2017), Volume Salt lake city, Utah, Denise cano, Filip Fratev, Suman Sirimulla.
• Identification of Akt1 inhibitors for the treatment of colorectal cancer (2017), Volume El Paso, Denise cano, Filip Fratev, Suman Sirimulla.
• solving drug discovery problems using machine learning techniques (2017), Volume El Paso Tx, Gerardo Muela, Suman Sirimulla.
• Identification of Akt1 inhibitors for the treatment of colorectal cancer (2017), Volume El Paso, Denise cano, Filip Fratev, Suman Sirimulla.
• Development of Polarizable Scoring Functions for Rational Drug Design (2017), Volume Mount Snow in West Dover VT United States , suman sirimulla.
• Role of unconventional non-covalent interactions in protein-ligand complexes (2017), Volume Holderness, NH, suman sirimulla.
• Identification of ZIKA virus inhibitors using insilico screening (2017), Volume San Francisco, CA, Miguel Rivera, Suman Sirimulla.
• Incorporation of sigma hole scoring function in Autodock Vina (2017), Volume San Francisco, CA, suman sirimulla.
• CINF: Advances in High-Throughput Screening (2017), Volume San Francisco, CA, Suman Sirimulla.
• Recent advances in Autodock Vina molecular docking software (2017), Volume San Francisco, CA, Suman Sirimulla.
• TMEM184b Controls Axon Degeneration and Neuromuscular Junction Structure and Modulates Autophagy (2017), Volume Arlington, VA, suman sirimulla, Filip F. Fratev, Martha Bhattacharya.
• Incorporation of sigma hole interactions in scoring function (2017), Volume Santa Fe, NM, suman sirimulla.
• Role of Computation in Drug Discovery (2017), Volume UTEP- UGLC 336, Suman Sirimulla.
• Role of Computation in Drug Discovery (2017), Volume Campbell Building, Room 236, Suman Sirimulla.
• small molecule inhibitors of Notch signaling for the suppression of cancer (2016), Volume El Paso, Tx, Daisy C. Alvarado, 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.