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Evgeny Gutkin
Evgeny Gutkin
Other namesEvgeny M Gutkin
Department of Chemistry, Carnegie Mellon University
Verified email at andrew.cmu.edu
Title
Cited by
Cited by
Year
Active learning guided drug design Lead optimization based on relative binding free energy modeling
F Gusev, E Gutkin, MG Kurnikova, O Isayev
Journal of Chemical Information and Modeling 63 (2), 583-594, 2023
232023
A community effort in SARS‐CoV‐2 drug discovery
J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ...
Molecular Informatics 43 (1), e202300262, 2024
22024
Optimizing high-throughput binding free energy simulations for small molecule drug discovery
SB Koby, E Gutkin, F Gusev, C Kottke, S Patel, O Isayev, MG Kurnikova
Biophysical Journal 123 (3), 296a, 2024
12024
In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations
E Gutkin, F Gusev, F Gentle, F Ban, SB Koby, C Narangoda, O Isayev, ...
Chemical Science, 2024
12024
High-throughput binding free energy simulations: Applications in drug discovery
SB Koby, E Gutkin, F Gusev, CM Narangoda, O Isayev, MG Kurnikova
Biophysical Journal 122 (3), 142a-143a, 2023
12023
An Automated On-The-Fly Optimization of Resource Allocation for High-Throughput Protein-Ligand Binding Free Energy Simulations
SB Koby, E Gutkin, S Patel, M Kurnikova
2023
A community effort to discover small molecule SARS-CoV-2 inhibitors
J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ...
American Chemical Society (ACS), 2023
2023
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