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Protein interactions

An efficient ranking deep neural network algorithm for the prediction of Ca²⁺ binding sites of the protein

Pritee Parwekar, Samudrala Gourinath, Jaishree Jain, Shilpa Gundagatti, Jabir Ali, Punit Gupta, Asmir Butkovic

published 13 Aug 2026

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Virtual screening of Kocuria oceani AT-1 metabolites as potential maize growth regulators under drought conditions using molecular docking and dynamics simulation

Muhammad Usama, Mahwish Salman, Ghulam Mustafa

published 24 Jul 2026

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SPPIPred: Stacking-based ensemble learning model for identification of protein-protein interaction

Md. Ashikur Rahman, Md. Mamun Ali, Md. Shohidullah, Kawsar Ahmed, Francis M. Bui, Li Chen, Mohammad Ali Moni

published 17 Jul 2026

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GraphTransDTI: A novel hybrid framework combining graph transformer and CNN-BiLSTM for enhanced Drug-Protein Interaction prediction

Van-Vang Le, Mai Thi Anh Nhu, Pham Truong Viet Thong

published 10 Jul 2026

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Heptapharmacological activity of Quercetin-3-O-phosphate against lung cancer pathways

Maryam Abdulrahman Alahdal, Hadil Alahdal, Najat Binothman, Majidah Aljadani, Nawal Helmi, Maryam A. AL-Ghamdi, Alaa Hamed Habib, Misbahuddin Rafeeq, Tahani Bakhsh, Hadeel A. Alsufyani, Abeer Al Tuwaijri

published 10 Jul 2026

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A network pharmacology-based approach and molecular docking study to explore the therapeutic potential of a nutraceutical formula (Vernolac) in the treatment of cancer

Sandani De Vass Gunawardane, Matheen Muhammadh Milhan, Poorni Chanuka Rathnayake, Prabudhi S. Garusinghe, Kavishka S. Gunaratne, Anusha Kanagasundaram, T. M. D. Darshanamala, Duvinika Chalani Senevirathne, Shalini Kaushalya Wijerathne, R. P. C. D. Perera, Kanishka Sithira Senathilake, Umapriyatharshini Rajagopalan, Kamani Hemamala Tennakoon, Sameera Ranganath Samarakoon

published 01 Jul 2026

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Integrated in silico and in vivo larvicidal evaluation of compounds targeting juvenile hormone for malaria vector control

Eric Kibagendi Osoro, Adeniyi Ayinde Abdulwahab, Florence Ezinwa Nkemehule, Adedoyin John-Joy Owolade, Micheal Abimbola Oladosu, Wilberforce K. Ndarawit, Daramola Oluwasegun Oluwatobiloba, Moses Adondua Abah, Fidelis Ngugi, Njogu M. Kimani, Damilola Samuel Bodun

published 26 Jun 2026

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Toxicity analysis of food contaminants based on network toxicology and molecular docking: A case study of Zearalenone

Xiaobo Xu, RuiLi Miao, Ping Xu, Leishan Chen, Kun Zhao, PingHui Xu, Hanna Fotina

published 26 Jun 2026

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Relationships between gene expression variability, expression levels, and Protein–Protein interactions in mouse and yeast

Peter M. Palenchar

published 25 Jun 2026

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In silico screening and molecular analyses identify apigenin from Scutellaria barbata as a potent AKT1 inhibitor in breast cancer

Md. Maruf Khan, Md. Arju Hossain, Fatematuz Zohora, Md. Sohel, Md. Faisal Amin, Fatematuz Zuhura Evamoni, M. Nazmul Hoque

published 25 Jun 2026

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A multi-modal co-attention model for accurate drug-target interaction prediction

Wanjun Ma, Wenjun Li, Mengyun Yang, Zhengdong Pu, Xiwei Tang

published 22 Jun 2026

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Molecular modeling of highly selective CDK1 Inhibitors based on pyrazolo-pyrimidines using 3D-QSAR, docking, and molecular dynamics simulations

Muhammad Afaq Tahir, Tahir Ali Chohan, Aisha Qayyum, Abdullah Yahya Abdullah Alzahrani, Abdullah R. Alzahrani, Zia Ur Rehman, Abida Khan, Khuram Ashfaq

published 22 Jun 2026

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Integrative computational analysis of plant-derived flavonoids as inhibitors of Listeriolysin O and Internalin A in Listeria monocytogenes

Shahadul Hassan Sourav, Noimul Hasan Siddiquee, Rahnuma Tabassum, Lamia Islam, Syed Kashif Zaidi, Mohammad Sharif Uddin, Sumita Rani Saha, Imam Hossain

published 09 Jun 2026

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