S Benjamin Koby
3PUBLICATIONS
13CO-AUTHORS
Get your video featured.
Publish with JoVEGet your video featured.
Publish with JoVE
Publications (3)
Sort by Publication Date:
|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
|Jun 14, 2024
In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations.Evgeny Gutkin, Filipp Gusev, Francesco Gentile
Pageof 1
Frequent Collaborators
3 joint publications
Evgeny Gutkin
3 joint publications
Maria G Kurnikova
2 joint publications
Filipp Gusev
2 joint publications
Olexandr Isayev
2 joint publications
Artem Cherkasov
1 joint publications
Francesco Gentile
1 joint publications
Shree Patel
1 joint publications
Suzanne Ackloo
1 joint publications
Cheryl H Arrowsmith
1 joint publications
Elisa Gibson
