AutoCCS: automated collision cross-section calculation software for ion mobility spectrometry-mass spectrometry. - Joon-Yong Lee; Aivett Bilbao; Christopher R. Conant; Kent J. Bloodsworth; Daniel J. Orton; Mowei Zhou; Jesse William Wilson; Xueyun Zheng; Ian K. Webb; Ailin Li; Kim K. Hixson; John C. Fjeldsted; et al. (Bioinform., 2021)

AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. - Rajendra P. Joshi; Katherine J. Schultz; Jesse William Wilson; Agustin Kruel; Rohith Anand Varikoti; Chathuri J. Kombala; Daniel W. Kneller; Stephanie Galanie; Gwyndalyn Phillips; Qiu Zhang; Leighton Coates; Jyothi Parvathareddy; et al. (J. Chem. Inf. Model., 2023)

Integrated data-driven and experimental approaches to accelerate lead optimization targeting SARS-CoV-2 main protease. - Rohith Anand Varikoti; Katherine J. Schultz; Chathuri J. Kombala; Agustin Kruel; Kristoffer R. Brandvold; Mowei Zhou; Neeraj Kumar (J. Comput. Aided Mol. Des., 2023)