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Macromolecular structure analysis

Computational modelling of the equine arteritis virus GP5/M Dimer: Implications for immune evasion and virulence

Michael Veit, Anna Karolina Matczuk

published 10 Mar 2026

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In silico design of novel recombinant antigens containing immunologically relevant regions of wild-type and escape mutant variants of HBsAg

Yeshwas Abite Workneh, Desye Melese Sisay, Abebaw Fekadu, Abraham Tesfaye Bika, Alemu Tekewe Mogus, Tesfaye Sisay Tessema

published 09 Mar 2026

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Selective culinary uses of plant foods by Northern and Eastern European hunter-gatherer-fishers

Lara González Carretero, Alexandre Lucquin, Harry K. Robson, T. Rowan McLaughlin, Ekaterina Dolbunova, Jasmine Lundy, Giulia Moretti, Blandine Courel, Manon Bondetti, Marian Berihuete-Azorín, Daniel Groß, Jacek Kabaciński, Piotr Kittel, Elena Kostyleva, Olga Lozovskaya, Andrey Mazurkevich, Bente Philippsen, Andrey Skorobogatov, Roman V. Smolyaninov, John Meadows, Carl Heron, Oliver E. Craig

published 04 Mar 2026

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Comparative analysis of the diversity within the B. bronchiseptica fimX locus

Tracy L. Nicholson, Sarah M. Shore

published 02 Mar 2026

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A novel mRNA-based multiepitope vaccine candidate against Cryptosporidium hominis and Cryptosporidium parvum employing reverse-vaccinology and immunoinformatics approaches

Ahmad Abdullah Mahdeen, Imam Hossain, Md. Habib Ullah Masum, T. M. Fazla Rabbi, Sajedul Islam

published 25 Feb 2026

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Integrative computational, synthetic, experimental evaluation of targeted inhibitors against matrix metalloproteinase-9: Toward precision modulation of proteolytic activity

Zainab Ahmed Rashid, Dima A. Sabbah, Kamal Sweidan, Rima Hajjo, Sanaa K. Bardaweel

published 17 Feb 2026

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QuPepFold: A python package for hybrid quantum-classical protein folding simulations with CVaR-optimized VQE

Akshay Uttarkar, Vidya Niranjan, Amit Saxena, Vinay Kumar

published 11 Feb 2026

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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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Exploring the toxicological mechanisms of Benzo[a]anthracene (BaA) exposure in lung adenocarcinoma (LUAD) via network toxicology, machine learning, and multi-dimensional bioinformatics analysis

Zhiyao Shi, Zhiyong Fang, Qiang Qin, Yu Gao, Xi Yang, Likun Liu, Xixing Wang

published 11 Feb 2026

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Proteomic profiling of a Sporobolomyces yeast reveals global responses to UV-B–induced oxidative stress

Ranko Gacesa, Raymond Chung, Suikinai Nobre Santos, Gabriel Padilla, Itamar Soares Melo, Paul F. Long

published 11 Feb 2026

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MAGIN-GO: Protein function prediction based on dual graph neural networks and gene ontology structure

Runxin Li, Wentao Xie, Zhenhong Shang, Xiaowu Li, Guofeng Shu, Lianyin Jia, Wei Peng

published 09 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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In-silico identification of anti-cholera phytochemicals from Indian medicinal plants

Khalilur Rahman, Yasmin Akter, Md Selim Reza, Md. Al Amin Pappu, Md. Rezaul Karim, Marzia Sultana, Mohammad Tarequl Islam, Munirul Alam, Md Nurul Haque Mollah, Md. Mamun Monir

published 02 Feb 2026

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