Author

Igor Marchlewski

Adam Mickiewicz University in PoznańORCID 0000-0002-3798-5865Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Bioinformatics· 2

Signature Assays, Organisms & Methods

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Approach:statistical model· 2 Assay:protein structure· 1

Frequent Co-Authors

Aravind Selvaram ThirunavukarasuiD· 2 shared Jan BrezovskýiD· 2 shared Artur GóraiD· 1 shared Bartłomiej SurpetaiD· 1 shared Carlos Eduardo Sequeiros-BorjaiD· 1 shared Cedrix J. Dongmo FoumthuimiD· 1 shared Gamze TanriveriD· 1 shared Karolina MitusińskaiD· 1 shared

Activity by Year

2024-2024 · peak 2/yr

Co-Author Collaboration Network

9 top collaborators · 24 mutual co-author links

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2 shared papersBioinformatics

Aravind Selvaram ThirunavukarasuORCID

Mutual co-authors in cluster

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2 papers

Recent·Most cited

Water migration through enzyme tunnels is sensitive to choice of explicit water model

Aravind Selvaram Thirunavukarasu, Katarzyna Szleper, Gamze Tanriver, Igor Marchlewski, Karolina Mitusińska, Artur Góra, Jan Brezovský

This study investigates how different water models affect water molecule migration through enzyme tunnels, finding that TIP3P allows faster and greater transport compared to OPC and TIP4P-Ew.

Journal of Chemical Information and Modeling · Dec 16, 2024Peer-reviewedBioinformatics

Water will find its way: transport through narrow tunnels in hydrolases

Carlos Eduardo Sequeiros-Borja, Bartłomiej Surpeta, Aravind Selvaram Thirunavukarasu, Cedrix J. Dongmo Foumthuim, Igor Marchlewski, Jan Brezovský

This study investigates water transport through narrow tunnels in three β-hydrolases using molecular dynamics simulations, revealing that sub-angstrom bottlenecks can facilitate transport with increased hydrogen bonding.

Journal of Chemical Information and Modeling · Apr 26, 2024Peer-reviewedBioinformatics