Evgeny Gutkin
5PUBLICATIONS
44CO-AUTHORS
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Publications (5)
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|May 26, 2025
Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding Affinities.Filipp Gusev, Evgeny Gutkin, Francesco Gentile
|May 06, 2025
Automated On-the-Fly Optimization of Resource Allocation for Efficient Free Energy Simulations.S Benjamin Koby, Evgeny Gutkin, Shree Patel
|Nov 05, 2024
CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein.Fengling Li, Suzanne Ackloo, Cheryl H Arrowsmith
|Jun 14, 2024
In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations.Evgeny Gutkin, Filipp Gusev, Francesco Gentile
|Jan 04, 2023
Active Learning Guided Drug Design Lead Optimization Based on Relative Binding Free Energy Modeling.Filipp Gusev, Evgeny Gutkin, Maria G Kurnikova
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Frequent Collaborators
5 joint publications
Maria G Kurnikova
4 joint publications
Filipp Gusev
4 joint publications
Olexandr Isayev
3 joint publications
S Benjamin Koby
3 joint publications
Artem Cherkasov
2 joint publications
Rachel J Harding
2 joint publications
Suzanne Ackloo
2 joint publications
Matthieu Schapira
2 joint publications
Levon Halabelian
2 joint publications
Elisa Gibson
