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Macromolecular structure analysis

In-silico prediction of multi‑target mechanisms of Pinellia ternata phytochemicals in lung cancer: Evidence from a graph‑attention‑guided virtual screening and multi‑scale simulations

Guoqiang Bian, Yuanbin Zhang, Yuanhao Shen, Pengcheng Xiao, Daifeng Zhang, Jiadong Xie, Xiong Li, Duo Chen, Kongfa Hu, Chenjun Hu

published 18 May 2026

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Cancer mutations in RAD51 and its paralogues

Anna L. Valentine, Isabella L. Huth, Nika M. Duff, Aisha Z. Rabbani, Kateri N. Donahue, Wesley A. Bush, Renee A. Bouley, Ruben C. Petreaca

published 14 May 2026

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Extracellular activity of a bacterial protease associated with reduced phage infectivity

Ehud Herbst, Gael Rosen Blechman, Taya Fedorenko, Sarah Melamed, Gil Amitai, Rotem Sorek

published 14 May 2026

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Alaska pollock protein as a functional dietary source for promoting skeletal muscle hypertrophy and lipid metabolic remodeling

Ayumu Kojima, Risa Mukai, Mizuki Morisasa, Wakako Tawara, Shunsuke Amagaya, Kenjiro Furusho, Norika Tsutsumi, Yukina Tadokoro, Haruto Otsuka, Miu Fujii, Taro Kishida, Atsushi Kuno, Azusa Tomioka, Shinji Okada, Tsukasa Mori, Naoko Goto-Inoue

published 13 May 2026

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Phosphorylation landscape of dengue virus proteins and their implications in protein-protein interactions

Prakhar Agrawal, Rahul Yadav, Arumugam Madhumalar, Ganesan Senthil Kumar

published 12 May 2026

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Design and in silico evaluation of an mRNA vaccine against HTLV-1 using AI-driven reverse vaccinology approaches

Nadia Seifi, Navid Nezafat, Mohammad Soroosh Hajizade, Manica Negahdaripour

published 06 May 2026

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Computational investigation of African natural products as Helicobacter pylori shikimate kinase inhibitors

Hari Ram Sharma Paudel

published 20 Apr 2026

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Effect of HIV-1 subtype-specific Tat protein polymorphisms on Tat-TAR interaction

Alnara Zhamalbekova, Mahmoud A. A. Ibrahim, Peter A. Sidhom, Syed Hani Abidi

published 20 Apr 2026

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Novel benzofuran/pterostilbene hybrids trigger programmed cell death and impair migration in CRC cells

Angie Herrera-Ramírez, Rubén Becerra-Quintana, Andrés F. Yepes, Wilson Cardona-Galeano

published 13 Apr 2026

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Featuring the application of biochemistry in dental practice through a self-directed assignment: A descriptive study

Nazlee Sharmin, Ava K. Chow

published 10 Apr 2026

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Phytochemicals from Astragalus zederbaueri as Acetylcholinesterase Inhibitors for Alzheimer’s Therapy

Saman Asghar, Muhammad Umer Khan, Talha Jawaid, Raima Rehman, Abeeha Shafi, Abdullah R. Alzahrani, Zia Ur Rehman, Abida Khan

published 10 Apr 2026

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Network pharmacology and integrative bioinformatics analyses identify PDE1A as a key target of pirfenidone in idiopathic pulmonary fibrosis

Jing Wu, Haseeb Khaliq, Yanyan Ke, Qudrat Ullah, Sheikh Arslan Sehgal, Xue Yi

published 10 Apr 2026

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A common network of residue-residue contacts underlies interactions between peptides and HLA class II complex

Alexander E. Kister, Dmitry R. Leshchiner, Ilya Kister

published 10 Apr 2026

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