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Protein interactions

Nature’s defense against emerging neurodegenerative threats: Dynamic simulation, PCA, DCCM identified potential plant-based antiviral lead targeting borna disease virus nucleoprotein

Noimul Hasan Siddiquee, Md. Ifteker Hossain, [ ... ], Abir Hossain

Starch to protein ratio and food moisture content influence water balance and urine supersaturation in cats

Maria Eduarda Gonçalves Tozato, Stephanie de Souza Theodoro, [ ... ], Aulus Cavalieri Carciofi

Integration of biological data via NMF for identification of human disease-associated gene modules through multi-label classification

Syed Alberuni, Sumanta Ray

Integration of pharmacophore-based virtual screening, molecular docking, ADMET analysis, and MD simulation for targeting EGFR: A comprehensive drug discovery study using commercial databases

Abdullah R. Alanzi, Ashaimaa Y. Moussa, [ ... ], Ijaz Ali

Modulation of electrical activity of proteinoid microspheres with chondroitin sulfate clusters

Panagiotis Mougkogiannis, Andrew Adamatzky

Integrated study of Quercetin as a potent SARS-CoV-2 RdRp inhibitor: Binding interactions, MD simulations, and In vitro assays

Ahmed M. Metwaly, Esmail M. El-Fakharany, [ ... ], Ibrahim. H. Eissa

Computational investigation of naturally occurring anticancer agents in regulating Hedgehog pathway proteins

Renu Pai, Divijendranatha Reddy Sirigiri, Rajyalakshmi Malempati, Saisha Vinjamuri

Drug repurposing against fucosyltransferase-2 via docking, STD-NMR, and molecular dynamic simulation studies

Muhammad Atif, Humaira Zafar, Atia-tul- Wahab, M. Iqbal Choudhary

Identification of interaction partners of outer inflammatory protein A: Computational and experimental insights into how Helicobacter pylori infects host cells

Sümeyye Akcelik-Deveci, Elif Kılıç, [ ... ], Sinem Oktem-Okullu

Interaction of 4-ethyl phenyl sulfate with bovine serum albumin: Experimental and molecular docking studies

Payal Gulati, Pratima Solanki, Awadhesh Kumar Verma, Anil Kumar

Design and antiviral assessment of a panel of fusion proteins targeting human papillomavirus type 16

Chongzhi Bai, Ruoyu Wang, [ ... ], Pengcheng Han

Screening of phytoconstituents from Bacopa monnieri (L.) Pennell and Mucuna pruriens (L.) DC. to identify potential inhibitors against Cerebroside sulfotransferase

Nivedita Singh, Anil Kumar Singh

Bioinformatics design of peptide binding to the human cardiac troponin I (cTnI) in biosensor development for myocardial infarction diagnosis

Muhammad Miftah Jauhar, Filasta Rachel Damairetha, [ ... ], Isa Anshori

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