Agustin Kruel

AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2

Rajendra P. Joshi, Katherine Schultz, Jesse Wilson et al. · Journal of Chemical Information and Modeling · 2023 · 22 citations · Full text

CACTUS: Chemistry Agent Connecting Tool Usage to Science

Andrew McNaughton, Gautham Krishna Sankar Ramalaxmi, Agustin Kruel et al. · ACS Omega · 2024 · 19 citations · Full text

Mechanistic investigation of SARS-CoV-2 main protease to accelerate design of covalent inhibitors

Ho Shin Kim, Darin Hauner, Joseph A. Laureanti et al. · Scientific Reports · 2022 · 10 citations · Full text