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Macromolecular structure analysis

Immunoinformatic evaluation for the development of a potent multi-epitope vaccine against bacterial vaginosis caused by Gardnerella vaginalis

Hamid Motamedi, Saeed Shoja, Maryam Abbasi

published 27 Feb 2025

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Drug target affinity prediction based on multi-scale gated power graph and multi-head linear attention mechanism

Shuo Hu, Jing Hu, Xiaolong Zhang, Shuting Jin, Xin Xu

published 21 Feb 2025

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Evaluating the structure-based virtual screening performance of SARS-CoV-2 main protease: A benchmarking approach and a multistage screening example against the wild-type and Omicron variants

Noha Galal, Botros Y. Beshay, Omar Soliman, Muhammad I. Ismail, Mohamed Abdelfadil, Mohamed El-Hadidi, Reem K. Arafa, Tamer M. Ibrahim

published 19 Feb 2025

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Cloning and bioinformatics analysis of key gene ShOMT3 of podophyllotoxin biosynthesis pathway in Sinopodophyllum hexandrum

Wei Liu, Haona Gao, Dan Zhao, Shuying Li, Lu Li, Xiufang Zhao, Zheng Zhang, Dongxue Yin

published 14 Feb 2025

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Untargeted lipidomics reveals unique lipid signatures of extracellular vesicles from porcine colostrum and milk

Rafaela Furioso Ferreira, Morteza H. Ghaffari, Fabrizio Ceciliani, Manuela Fontana, Donatella Caruso, Matteo Audano, Giovanni Savoini, Alessandro Agazzi, Vladimir Mrljak, Helga Sauerwein

published 13 Feb 2025

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Immunoinformatic strategy for developing multi-epitope subunit vaccine against Helicobacter pylori

Md. Nahian, Md. Rasel Khan, Fabiha Rahman, Hossain Mohammed Reza, Imren Bayil, Tanjum Ahmed Nodee, Tabassum Basher, Mostafizur Rahaman Sany, Rabeya Najnin Munmun, S. M. Ariful Habib, Lincon Mazumder, Mrityunjoy Acharjee

published 07 Feb 2025

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Identification and prioritization of novel therapeutic candidates against glutamate racemase from Klebsiella pneumoniae

Ankit Kumar, Farah Anjum, Md Imtaiyaz Hassan, Anas Shamsi, Rashmi Prabha Singh

published 06 Feb 2025

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Utilizing the subtractive proteomics approach to design ensemble vaccine against Candida lusitaniae for immune response stimulation; a bioinformatics study

Habiba Naz, Rimsha Timotheous, Muhammad Farhan Sarwar, Tariq Nadeem, Mudassar Fareed Awan, Sajed Ali, Sophia Awais, Irfan Ahmed

published 06 Feb 2025

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Computational analysis of the effect of a binding protein (RbpA) on the dynamics of Mycobacterium tuberculosis RNA polymerase assembly

Sneha Bheemireddy, Ramanathan Sowdhamini, Narayanaswamy Srinivasan

published 30 Jan 2025

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Application of attenuated total reflection–Fourier transform infrared spectroscopy in semi-quantification of blood lipids and characterization of the metabolic syndrome

Tz-Ping Gau, Jen-Hung Wen, I-Wei Lu, Pei-Yu Huang, Yao-Chang Lee, Wei-Po Lee, Hsiang-Chun Lee

published 30 Jan 2025

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Arsenic efflux and bioremediation potential of Klebsiella oxytoca via the arsB gene

Sana Waqar, Aamira Tariq, Ubaid ullah, Hira Haleem, Hadiqa Aimen, Sadia Sattar, Nazish Bostan

published 29 Jan 2025

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Cross-species comparison of AlphaFold-derived G protein-coupled receptor structures reveals novel melatonin-related receptor in Neurospora crassa

Cathryn S. D. Maienza, Guillaume Lamoureux, Kwangwon Lee

published 28 Jan 2025

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Computational design of multi-epitope vaccine against Hepatitis C Virus infection using immunoinformatics techniques

Sara Zubair, Fahed Parvaiz, Turki Abualait, Khalid Al-Regaiey, Tasneem Anwar, Mahnoor Zafar, Imdad Kaleem, Shahid Bashir

published 24 Jan 2025

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