Author

Paweł Krupa

Institute of PhysicsORCID 0000-0002-9710-7837Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Assay:protein structure· 2 Approach:experimental assay· 1 Research Focus:protein design· 1 Approach:simulation· 1 Research Focus:software / tool· 1 Approach:statistical model· 1

Frequent Co-Authors

Pamela SmardziD· 2 shared Adam K. SieradzaniD· 1 shared Bartosz RóżyckiiD· 1 shared Magdalena A. KrupaiD· 1 shared Mai Suan LiiD· 1 shared Marta SpodziejaiD· 1 shared Midhun Mohan AnilaiD· 1 shared Pawel Rogowski· 1 shared

Activity by Year

2023-2024 · peak 1/yr

Co-Author Collaboration Network

9 top collaborators · 20 mutual co-author links

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2 shared papersMolecular Biology

Pamela SmardzORCID

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2 papers

Recent·Most cited

Molecular BiologyInternational Journal of Molecular SciencesPeer-reviewedJun 18, 2024

Protocols for Multi-Scale Molecular Dynamics Simulations: A Comparative Study for Intrinsically Disordered Amyloid Beta in Amber & Gromacs on CPU & GPU

Pamela Smardz, Midhun Mohan Anila, Pawel Rogowski…·Paweł Krupa

This paper provides simulation protocols for studying intrinsically disordered proteins using Amber and Gromacs, with a focus on dynamic disulfide bonds in Aβ42.

26 citations

protein structureexperimental assay

𝕏 PostBluesky

BioinformaticsbioRxivPreprintOct 10, 2023

Computational Design of a Highly-Specific HVEM-Based Inhibitor of LIGHT Protein

Piotr Ciura, Pamela Smardz, Magdalena A. Krupa…·Adam K. Sieradzan

The paper designs HVEM-based LIGHT inhibitors through computational methods, identifying a peptide with high binding affinity for LIGHT.

DOI 10.1101/2023.10.10.561657

protein structurestatistical model

𝕏 PostBluesky