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Macromolecular structure analysis

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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Large-scale multi-omic biosequence transformers for modeling protein–nucleic acid interactions

Sully F. Chen, Robert J. Steele, Glen M. Hocky, Beakal Lemeneh, Shivanand P. Lad, Eric K. Oermann

published 02 Feb 2026

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In-silico characterization of deleterious non-synonymous SNPs in the human S1PR1 gene reveals structural instability and altered ligand affinity

Sangram Biswas, Dipankar Sardar, Md. Arju Hossain, Soharth Hasnat, Arif Hossain Ramjan, Ummah Kulsum Nazifa, Fatema-Tuz Zohora, Ishrat Jahan Esha, Chandrika Mondal, Abdul Barik, M. Nazmul Hoque

published 02 Feb 2026

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Impact of level of nutritional dose and diet specific components of colostrum in promoting 24 h gain, circulating lipid profile, and circulating levels of immunocrit, proteins, glucose, and free amino acids in neonatal gilt piglets

Linda M. Beckett, Wonders Ogundare, Leriana Garcia Reis, KaLynn Harlow, Addison Hill, Michayla Dinn, Emma Shelton, Evy Tobolski, Caeden Meade, Yu Han-Hallett, Christina Ramires Ferreira, Kara Stewart, Theresa M. Casey

published 27 Jan 2026

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Exploration of a workflow for the classification and identification of co-purified protein complexes yields new structures and multiple MSP assembly states

Qingyang Zhang, Abhinandan Venkatesha Murthy, Carsten Mim

published 27 Jan 2026

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Genome-wide identification and multi-dimensional functional characterization of the SIR2 family in Brassica napus L.

Hanbing Hu, Ling He, Rui Chen, Ziheng Jing, Heping Wan, Zilan Xiao, Hongtao Cheng, Chunhong Wu, Xiaoyun Liu

published 22 Jan 2026

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