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Protein structure comparison

Revealing bioremediation potential of novel indigenous bacteria from oil-contaminated sites in the UAE: A combined bioinformatics and experimental validation

Sara Awni Alkhatib, Sagar Arya, Deema Islayem, Runyararo Memory Nyadzayo, Sharmarke Mohamed, Ahmed F. Yousef, Hector H. Hernandez, Anna-Maria Pappa

published 12 Aug 2025

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Computational prediction of the pathogenic variants of arachidonate 5-lipoxygenase activating protein using Molecular Dynamics simulation

Mohamed E. Elnageeb, Imadeldin Elfaki, Gad Allah Modawe, Abdelrahman Osman Elfaki, Othman R. Alzahrani, Hytham A. Abuagla, Hayam A. Alwabsi, Adel I. Alalawy, Mohammad Rehan Ajmal, Elsiddig Idriss Mohamed, Hussein Eledum, Syed Khalid Mustafa, Elham M. Alhathli

published 30 Jul 2025

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Bioinformatics and modelling studies of FhuD, the periplasmic siderophore binding protein from the plant pathogen Erwinia amylovora

Sharda Bharti, Lavinia Carlini, Alfonso Esposito, Stefano Benini

published 23 Jul 2025

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Tracing the function expansion for a primordial protein fold in the era of fold-based function prediction: β-trefoil

Moushmi Goswami, Subhashini Srinivasan

published 03 Jul 2025

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Using computer-generated protein models to analyze mutations linked to Amelogenesis Imperfecta

Nazlee Sharmin, Jerald Yuan, Ava K. Chow

published 26 Jun 2025

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Discovery of novel targets for important human and plant fungal pathogens via an automated computational pipeline HitList

David E. Condon, Brenda K. Schroeder, Paul A. Rowley, F. Marty Ytreberg

published 03 Jun 2025

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Measuring alignment of structural proteins in engineered tissue constructs using polarized Raman spectroscopy

Maedeh Lotfi, Hui Zhou, Janny Piñeiro Llanes, Ghatu Subhash, Chelsey S. Simmons, Malisa Sarntinoranont

published 30 May 2025

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Assessing the generalization capabilities of TCR binding predictors via peptide distance analysis

Leonardo V. Castorina, Filippo Grazioli, Pierre Machart, Anja Mösch, Federico Errica

published 20 May 2025

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Allosteric modulation of Plasmodium falciparum Isoleucyl tRNA synthetase by South African natural compounds

Curtis Chepsiror, Wayde Veldman, Fisayo Olotu, Özlem Tastan Bishop

published 14 May 2025

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Two different and robustly modeled DNA binding modes of Competence Protein ComP - systematic modeling with AlphaFold 3, RoseTTAFold2NA, Chai-1 and re-docking in HADDOCK

Stian Aleksander Helsem, Kristian Alfsnes, Stephan A. Frye, Alexander Hesselberg Løvestad, Ole Herman Ambur

published 08 May 2025

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Chameleon sequences—Structural effects

Mateusz Slupina, Katarzyna Stapor, Leszek Konieczny, Krzysztof Gądek, Piotr Nowakowski, Irena Roterman

published 22 Apr 2025

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Cross-species comparison of AlphaFold-derived G protein-coupled receptor structures reveals novel melatonin-related receptor in Neurospora crassa

Cathryn S. D. Maienza, Guillaume Lamoureux, Kwangwon Lee

published 28 Jan 2025

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Bioinformatics analysis of myelin-microbe interactions suggests multiple types of molecular mimicry in the pathogenesis of multiple sclerosis

Ali Bigdeli, Mostafa Ghaderi-Zefrehei, Bluma J. Lesch, Mehrdad Behmanesh, S. Shahriar Arab

published 30 Dec 2024

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