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Protein structure comparison

Pathogenic KRAS variants disrupt structure and dynamics: Insights from integrated computational analyses

Saqib Ishaq, Aizaz Ali, Obaid Habib, Shabir Ahmad Usmani, Irshad Ur Rehman, Abdul Aziz, Yasir Ali, Ajaz Ahmad, Amin Ullah

published 11 Feb 2026

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Mapping SBiP1 protein-protein interactions in Symbiodinium microadriaticum CassKB8 using the Yeast Two-Hybrid assay and structural prediction

Estefanía Morales-Ruiz, Tania Islas-Flores, Marco A. Villanueva

published 06 Feb 2026

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Classification of virulence factors based on dual-channel neural networks with pre-trained language models

Guanghui Li, Peiyang Song, Jiawei Luo, Cheng Liang

published 05 Jan 2026

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Unveiling the Plasmodium inositol (pyro)phosphate pathway: Highlighting inositol polyphosphate multikinase as a novel therapeutic target for malaria

Abigail Obuobi, Neils B. Quashie, Nancy Odurowah Duah-Quashie, Jon R. Sayers

published 10 Dec 2025

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Structural and immunological impacts of TOLLIP nsSNPs: A computational biology approach to drug discovery and immune system modulation

Obaid Habib, Saqib Ishaq, Kamran Habib, Aishma Khattak, Wei Yang, Zesong Li, Kainat Bukhari, Amin Ullah, Ajaz Ahmad, Qurban Ali

published 13 Nov 2025

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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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