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Protein structure

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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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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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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Investigating the functional and structural effect of non-synonymous single nucleotide polymorphisms in the cytotoxic T-lymphocyte antigen-4 gene: An in-silico study

Md. Mostafa Kamal, Kazi Fahmida Haque Shantanu, Shamiha Tabassum Teeya, Md. Motiar Rahman, A. K. M. Munzurul Hasan, Douglas P. Chivers, Tanveer A. Wani, Atekah Hazzaa Alshammari, Mahesh Rachamalla, Francisco Carlos da Silva Junior, Md. Munnaf Hossen

published 24 Jan 2025

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Structure-guided identification of mitogen-activated protein kinase-1 inhibitors towards anticancer therapeutics

Md Nayab Sulaimani, Shazia Ahmed, Farah Anjum, Taj Mohammad, Anas Shamsi, Ravins Dohare, Md. Imtaiyaz Hassan

published 24 Jan 2025

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Investigation of biometabolites and novel antimicrobial peptides derived from promising source Cordyceps militaris and effect of non-small cell lung cancer genes computationally

Muhammad Afzal, Mai Abdel Haleem A. Abusalah, Neelum Shehzadi, Muhammad Absar, Naveed Ahmed, Sarmir Khan, Yalnaz Naseem, Noshaba Mehmood, Kirnpal Kaur Banga Singh

published 23 Jan 2025

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