Agustin Kruel

According to our database, Agustin Kruel authored at least 4 papers between 2023 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

CACTUS: Chemistry Agent Connecting Tool-Usage to Science.

Andrew D. McNaughton, Gautham Ramalaxmi, Agustin Kruel, Carter R. Knutson, Rohith Anand Varikoti, Neeraj Kumar

CoRR, 2024

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., August, 2023

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, Surekha Surendranathan, Ying Kong, Austin Clyde, Arvind Ramanathan, Colleen B. Jonsson, Kristoffer R. Brandvold, Mowei Zhou, Martha S. Head, Andrey Kovalevsky, Neeraj Kumar

J. Chem. Inf. Model., March, 2023

Scaffold-Based Multi-Objective Drug Candidate Optimization.

Agustin Kruel, Andrew D. McNaughton, Neeraj Kumar

CoRR, 2023