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Protein structure

Identification of autophagy-related key biomarkers in caerulein induced acute pancreatitis: In silico and in vivo study

Xinzhuang Shen, Jie Yao, Zongke Wang, Renhua Chen, Laian Li, Xiangjun Xu, Yongming Huang

published 27 Mar 2026

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Identification of polyphenols as novel neuropilin-1 cendR pocket inhibitors to block SARS-CoV-2 entry and enhance variant resistance

Farid Ataya, Abir Alamro, Amani Alghamdi, Dalia Fouad

published 23 Mar 2026

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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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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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