Staff information
Rohith Varikoti
Comp & Data Eng. Team 3
Data Scientist
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PNNL Publications
2024
- McNaughton A.D., G. Sankar Ramalaxmi, A. Kruel, C.R. Knutson, R.A. Varikoti, and N. Kumar. 2024. "CACTUS: Chemistry Agent Connecting Tool Usage to Science." ACS Omega 9, no. 46:46563-46573. PNNL-SA-197968. doi:10.1021/acsomega.4c08408
- Thibert S.M., D.J. Reid, J.W. Wilson, R.A. Varikoti, N. Maltseva, K.J. Schultz, and A. Kruel, et al. 2024. "Native Mass Spectrometry Dissects the Structural Dynamics of an Allosteric Heterodimer of SARS-CoV-2 Nonstructural Proteins." Journal of the American Society for Mass Spectrometry 35, no. 5:912-921. PNNL-SA-189769. doi:10.1021/jasms.3c00453
- Varikoti R.A., C. Kombala Nanayakkara Thambiliya, S.M. Thibert, D.J. Reid, M. Zhou, A. Kruel, and N. Kumar. 2024. Automated AI-driven Molecular Design for Therapeutic Discovery. PNNL-36621. Richland, WA: Pacific Northwest National Laboratory. Automated AI-driven Molecular Design for Therapeutic Discovery
2023
- Joshi R., K.J. Schultz, J.W. Wilson, A. Kruel, R.A. Varikoti, C. Kombala Nanayakkara Thambiliya, and D.W. Kneller, et al. 2023. "AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2." Journal of Chemical Information and Modeling 63, no. 5:1438-1453. PNNL-SA-176233. doi:10.1021/acs.jcim.2c01377
2022
- Varikoti R.A., K.J. Schultz, M. Zhou, C. Kombala Nanayakkara Thambiliya, K.R. Brandvold, A. Kruel, and N. Kumar. 2022. Machine Learning-driven Molecular Design for Therapeutic Discovery. PNNL-33349. Richland, WA: Pacific Northwest National Laboratory. Machine Learning-driven Molecular Design for Therapeutic Discovery