Author

István Kolossváry

Flagship Pioneering (United States)ORCID 0000-0002-0424-4577Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Biophysics· 2 Molecular Biology· 1

Signature Assays, Organisms & Methods

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Assay:protein structure· 2 Approach:statistical model· 2 Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Organism:human· 1 Approach:machine learning (classical)· 1 Research Focus:protein folding & dynamics· 1 Research Focus:protein structure prediction· 1

Frequent Co-Authors

Dávid BajusziD· 1 shared Emma K. GrantiD· 1 shared Fabio TrovatoiD· 1 shared George Khelashvili· 1 shared György Miklós KeserűiD· 1 shared Jacob T. BushiD· 1 shared Márton GadanecziD· 1 shared Péter Ábrányi‐BaloghiD· 1 shared

Activity by Year

2025-2026 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 22 mutual co-author links

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1 shared paperBiophysics

Dávid BajuszORCID

Mutual co-authors in cluster

Author profile →

3 papers

Recent·Most cited

Efficient detection of cryptic pockets on challenging drug targets using MD-free co-vibrational modes

Tibor Viktor Szalai, Dávid Bajusz, Zoltán Orgován, Péter Ábrányi‐Balogh, Márton Gadanecz, Tı́mea Imre, Emma K. Grant, Jacob T. Bush, István Kolossváry, György Miklós Keserű

The paper identifies cryptic pockets on challenging drug targets using a fast MD-free method and validates them experimentally.

bioRxiv · Oct 8, 2026 · PreprintBiophysics

Interactions with lipid membrane modulate the conformational dynamics and energy landscape of Tumor Necrosis Factor

George Khelashvili, István Kolossváry, Woody Sherman, Fabio Trovato

This study investigates how lipid membrane interactions affect the conformational dynamics and energy landscape of membrane-bound TNF, showing that membrane association stabilizes the symmetric state over asymmetric conformations.

bioRxiv · Nov 28, 2025 · PreprintBiophysics

Reinforced molecular dynamics: Physics-infused generative machine learning model explores CRBN activation process

István Kolossváry, Rory Coffey

The paper introduces a machine learning model called reinforced molecular dynamics (rMD) that uses MD and free-energy data to efficiently explore protein conformational space, applied to study CRBN activation.

bioRxiv · Feb 12, 2025 · PreprintMolecular Biology