Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

S Benjamin Koby

3PUBLICATIONS

13CO-AUTHORS

Biomolecular modelling and designFormal methods for softwareBioinformatic methods development

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get 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

<i>In silico</i> 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

Frequent Collaborators

3 joint publications

Evgeny Gutkin

3 joint publications

Maria G Kurnikova

2 joint publications

Filipp Gusev

2 joint publications

Olexandr Isayev

Top Related Videos

Metabolic Labeling of Leucine Rich Repeat Kinases 1 and 2 with Radioactive Phosphate

Metabolic Labeling of Leucine Rich Repeat Kinases 1 and 2 with Radioactive Phosphate

Published on : Sep 18, 2013

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches

Published on : Oct 13, 2022

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology

Published on : Nov 22, 2024

See more related videos

Top Related Videos

Metabolic Labeling of Leucine Rich Repeat Kinases 1 and 2 with Radioactive Phosphate

Metabolic Labeling of Leucine Rich Repeat Kinases 1 and 2 with Radioactive Phosphate

Published on : Sep 18, 2013

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches

Published on : Oct 13, 2022

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology

Published on : Nov 22, 2024

See more related videos