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Protein interactions

Computational evaluation of AKT2 mutations reveals R274H and R467W as potential drivers of protein instability and inhibitor resistance in cancer therapy

Sadia Afrin Runa, Mahafujul Islam Quadery Tonmoy, Md. Ashiqul Islam, Md. Aminul Islam

published 27 Oct 2025

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Identification of novel therapeutic inhibitors against E6 and E7 oncogenes of HPV-16 associated with cervical cancer

Saima Younas, Zaryab Ikram Malik, Muhammad Umer Khan, Sadia Manzoor, Hafiz Muzzammel Rehman, Hafiz Muhammad Hammad, Shahina Akter

published 27 Oct 2025

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Evaluating the pentapharmacological potency of otamixaban against lung cancer CDK2, transferase, oxidoreductase and signalling proteins

Hanadi M. Baeissa, Tahani Bakhsh, Afnan Mohammed Shakoori, Ghadir Sindi, Randa Mohammed Zaki, Mohammad Azhar Kamal, Hadeel A. Alsufyani, Alaa Hamed Habib, Arwa Ishaq A. Khayyat, Misbahuddin Rafeeq, Deeba Shamim Jairajpuri

published 09 Oct 2025

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Targeting vascular dementia: Molecular docking and dynamics of natural ligands against neuroprotective proteins

Zhizhong Wang, Sen Xu, Ailong Lin, Chunxian Wei, Zhiyong Li, Yingchun Chen, Bizhou Bie, Ling Liu

published 01 Oct 2025

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Exploring β-catenin and TCF4 interaction in complex environments by means of novel biosensing platform focal molography

Philipp Cedro, Roman Popov, Maxime Karrer, Jean-Christophe Hau, Eric-André Kusznir, Ralf Thoma, Andreas Frutiger, Matthias Lauer, Sylwia Huber

published 30 Sep 2025

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A graph neural network-based approach for predicting SARS-CoV-2–human protein interactions from multiview data

Sumanta Ray, Syed Alberuni, Alexander Schönhuth

published 25 Sep 2025

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Identification and 3D modeling of bioactive peptides from Lactobacillus brevis RAMULAB49 protein hydrolysate with in silico ERK1 phosphorylation inhibition activity targeting diabetic nephropathy

Reshma Mary Martiz, Ramith Ramu, Hemalatha Nambisan, Ameer Suhail, Mohammad Raish, Shashank M. Patil, Ashwini P., Mahesh B., Maciej Przybyłek, Piotr Bełdowski, Alina Sionkowska, Kefeng Li, Xijun Tang

published 22 Sep 2025

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Structural stability-guided scaffold hopping and computational modeling of tankyrase inhibitors targeting colorectal cancer

Mohammed Merae Alshahrani

published 19 Sep 2025

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Exploring Dolichos lablab compounds as potential inhibitors for fusion (F) protein of human metapneumovirus (HMPV): A systematic computational approach

Md. Mainuddin Hossain, Md. Jahid Hasan Apu, Md. Faisal Bin Abdul Aziz, Md. Tanzimur Rahman Tanjil, Liton Chandra Das, Antora Kar, Fatematuz Zuhura Evamoni, Md. Mahbub Morshed

published 11 Sep 2025

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AI-assisted discovery of potent FGFR1 inhibitors via virtual screening and in silico analysis

Ram Lal (Swagat) Shrestha, Ashika Tamang, Sandeep Poudel Chhetri, Nirmal Parajuli, Manila Poudel, Shiva M. C., Aakar Shrestha, Timila Shrestha, Samjhana Bharati, Binita Maharjan, Bishnu P. Marasini, Jhashanath Adhikari Subin

published 11 Sep 2025

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KG-MACNF: A nonlinear cross-modal fusion model for predicting drug-target interactions via multi-relational embedding and fine-grained structure

Yihan Feng, Xixin Yang, Yuanlin Guan, Jinyao Zhang, Hang Yang, Zhongyu Wang, Qi Cheng

published 09 Sep 2025

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Identification of silibinin and isotretinoin as potent up-regulators of sFRP4 (Wnt antagonist): In silico prediction and in vitro validation in breast cancer

Rehana Ramzan, Shazia Anwer Bukhari, Azhar Rasul

published 08 Sep 2025

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ProteinWeaver: A webtool to visualize ontology-annotated protein networks

Oliver Anderson, Altaf Barelvi, Aden O’Brien, Ainsley Norman, Iris Jan, Anna Ritz

published 05 Sep 2025

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