Marian Novotný

10PUBLICATIONS
79CO-AUTHORS
Bioinformatic methods developmentNatural language processingEvolution of developmental systemsBiomolecular modelling and designProteins and peptides
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Publications (10)

|May 07, 2026
Predicting and Decoding Allosteric Binding Sites Using Protein Language Models and Structure-Based Machine Learning: An Energy Landscape-Guided Explainable AI Framework.

|Mar 26, 2026
Decoding Allosteric Grammar with Explainable AI Integrating Protein Language Models and Energy Landscape Analysis: Neutral Frustration at Allosteric Binding Sites Encodes Regulatory Versatility in Protein Kinases.

Will Gatlin, Max Ludwick, Lucas Turano

|Jan 16, 2026
Protein Language Models and Structure-Based Machine Learning for Prediction of Allosteric Binding Sites in Protein Kinases: An Explainable AI Framework Grounded in Energy Landscape-Encoded Frustration.

Kamila Riedlová, Vít Škrhák, Will Gatlin

|Dec 04, 2025
Coenzyme-protein interactions since early life.

Alma Carolina Sanchez Rocha, Mikhail Makarov, Lukáš Pravda

|Dec 18, 2024
CryptoBench: cryptic protein-ligand binding sites dataset and benchmark.

Vít Škrhák, Marian Novotný, Christos P Feidakis

|Oct 25, 2022
AHoJ: rapid, tailored search and retrieval of apo and holo protein structures for user-defined ligands.

Christos P Feidakis, Radoslav Krivak, David Hoksza

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Frequent Collaborators

3 joint publications

Gennady Verkhivker

3 joint publications

David Hoksza

3 joint publications

Vit Skrnak

2 joint publications

Alma Carolina Sanchez Rocha