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Filipp Gusev

6PUBLICATIONS
46CO-AUTHORS
Biomolecular modelling and designMolecular targetsOrganic semiconductorsBioinformatic methods development
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Journal

Publications (6)

Sort by Publication Date:
|Sep 03, 2025
All That Glitters Is Not Gold: Importance of Rigorous Evaluation of Proteochemometric Models.

Polina Avdiunina, Shamieraah Jamal, Filipp Gusev

|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

|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

|Jul 25, 2024
Discovery of Crystallizable Organic Semiconductors with Machine Learning.

Holly M Johnson, Filipp Gusev, Jordan T Dull

|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

|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

6 joint publications

Olexandr Isayev

4 joint publications

Evgeny Gutkin

4 joint publications

Maria G Kurnikova

3 joint publications

Artem Cherkasov

2 joint publications

S Benjamin Koby

2 joint publications

Matthieu Schapira

2 joint publications

Rachel J Harding

2 joint publications

Suzanne Ackloo

2 joint publications

Levon Halabelian

2 joint publications

Elisa Gibson

Frequent Collaborators

6 joint publications

Olexandr Isayev

4 joint publications

Evgeny Gutkin

4 joint publications

Maria G Kurnikova

3 joint publications

Artem Cherkasov

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