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Protein interactions

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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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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GC-MS based bioactive profiling of Phyllanthus niruri and its antibacterial potential through experimental and computational studies

Zubair Khalid Labu, Samira Karim, Maria Afroz, Umme Kulsum Batul, Lina Akther, Md. Tarekur Rahman, Sarder Arifuzzaman

published 23 Jan 2026

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Integrative multi-omics analyses identify key genes and elucidate bidirectional regulatory mechanisms in thyroid dysfunction

Yilang Hu, Hong Hu, Lijun Xu, Xuzheng Tang, Chongyu Wang, Zhengyi Lian, Chenyu Xie, Zhiwan Xie, Qingqing Wang

published 22 Jan 2026

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Bioactivity of Cyperus amuricus extracts against hepatocellular carcinoma and molecular docking analysis targeting the PI3K/AKT/mTOR pathway

Thanh Luan Nguyen, Thanh Khoi Tu, Thien-Vy Phan, Chanh M. Nguyen, Khoa D. Nguyen, Minh Quan Pham, Hai Ha Pham Thi

published 09 Jan 2026

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Targeting epigenetic regulators: In-silico discovery of natural inhibitors against histone demethylase KDM4C

Mukesh Kumar, Anusha P, Soumyadip Mukhopadhyay, Subarnarekha Chowdhury, Manoj Phalak, Uma Devi, Prakash K. Shukla

published 08 Jan 2026

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Structural engineering, BSA binding and computational analysis of isonipacotate based enzyme inhibitors containing 1,2,4-triazole

Naeem A. Virk, Aziz-ur-Rehman, Javed Iqbal, Tahir Ali Chohan, Abdullah R. Alzahrani, Talha Jawaid, Zia Ur Rehman, Abida Khan

published 07 Jan 2026

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Computational identification of epifriedelanol and derived analogs from Mikania cordata as potential HMG-CoA reductase inhibitors

Miruna Banu, Sheikh Sunzid Ahmed, Momtaz Begum, M. Oliur Rahman

published 06 Jan 2026

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Discovery of F-18 labeled repurposed CNS drugs by computational strategy for effective tau imaging and alzheimer’s diagnosis

Pan Tang, Xuehua Chen, Pingping Li, Ling Zhang, Bin Tang, Jun Wen, Yan Liu, Iqra Kalsoom, Chong Cheng

published 22 Dec 2025

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Enhancing drug repositioning: A multi-class ensemble model for drug-target interaction prediction with action type categorization

Leila Jafari Khouzani, Soroush Sardari, Soheila Jafari Khouzani, Horacio Pérez-Sánchez, Fahimeh Ghasemi

published 15 Dec 2025

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Evaluation of dihydropyranocoumarins as potent inhibitors against triple-negative breast cancer: An integrated of in silico, quantum & molecular modeling approaches

Abu Yousuf Hossin, Md Naziur Rahman, Md Mahabub Hasan, Ansarul Karim, Shyikh Ahmed Alif, Naziat Nayel Arshi, Shammi Jahan, Ajoy Kumer

published 03 Dec 2025

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Assessing the chemical profile and biological potentials of Tamarix smyrnensis flower extracts using different solvents by in vitro, in silico, and network methodologies

Erdi Can Aytar, Emine Incilay Torunoğlu, Abidin Gümrükçüoğlu, Saleh Al-Farraj, Alper Durmaz, Mika Sillanpää

published 01 Dec 2025

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