Aleksey I Gerasyuto

4PUBLICATIONS
17CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsComputational chemistryMolecular targetsBiomolecular modelling and design
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Publications (4)

|Jun 17, 2026
Discovery of 2H-Pyrrolo[3,4‑c]pyridin-3-one Derivatives as Type-III c‑MET Inhibitors Enabled by Free-Energy Perturbation Calculations.

|Aug 26, 2025
Harnessing free energy calculations for kinome-wide selectivity in drug discovery campaigns with a Wee1 case study.

Jennifer Lynn Knight, Anthony J Clark, Jiashi Wang

|Dec 12, 2024
Discovery of a Novel Mutant-Selective Epidermal Growth Factor Receptor Inhibitor Using an In Silico Enabled Drug Discovery Platform.

Hideyuki Igawa, Zef A Konst, Eric Therrien

|Oct 24, 2024
The Discovery of MORF-627, a Highly Selective Conformationally-Biased Zwitterionic Integrin αvβ6 Inhibitor for Fibrosis.

Bryce A Harrison, James E Dowling, Matthew G Bursavich

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Frequent Collaborators

2 joint publications

Ana Negri

2 joint publications

Eric Therrien

2 joint publications

Pieter H Bos

2 joint publications

Jeffrey A Bell