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Binding analysis

Role of ruscogenin extracted from Radix Ophiopogon Japonicus in antagonizing 5-hydroxytryptamine and dopamine receptors through computational screening

Suya Ma, Yongmei Liu

published 19 Nov 2024

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Repurposing of drug candidates against Epstein–Barr virus: Virtual screening, docking computations, molecular dynamics, and quantum mechanical study

Mahmoud A. A. Ibrahim, Alaa M. A. Hassan, Eslam A. R. Mohamed, Gamal A. H. Mekhemer, Peter A. Sidhom, Mohamed A. El-Tayeb, Shahzeb Khan, Tamer Shoeib, Mahmoud E. S. Soliman, Alaa H. M. Abdelrahman

published 15 Nov 2024

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Direct activation of HSF1 by macromolecular crowding and misfolded proteins

Oliver Simoncik, Vlastimil Tichy, Michal Durech, Lenka Hernychova, Filip Trcka, Lukas Uhrik, Miroslav Bardelcik, Philip J. Coates, Borivoj Vojtesek, Petr Muller

published 04 Nov 2024

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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

published 24 Oct 2024

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The final walk with preptin

Lucie Mrázková, Marta Lubos, Jan Voldřich, Erika Kužmová, Denisa Zrubecká, Petra Gwozdiaková, Miloš Buděšínský, Seiya Asai, Aleš Marek, Jan Pícha, Michaela Tencerová, Michaela Ferenčáková, Glenda Alquicer Barrera, Jakub Kaminský, Jiří Jiráček, Lenka Žáková

published 12 Sep 2024

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An analysis of differential gene expression in peripheral nerve and muscle utilizing RNA sequencing after polyethylene glycol nerve fusion in a rat sciatic nerve injury model

Samantha N. Weiss, Joseph M. Legato, Yichuan Liu, Courtney N. Vaccaro, Renata Pellegrino Da Silva, Sandra Miskiel, Grace V. Gilbert, Hakon Hakonarson, David A. Fuller, Russell J. Buono

published 04 Sep 2024

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Structural insight into the DNMT1 reaction cycle by cryo-electron microscopy

Inessa De, Jonas Weidenhausen, Nestor Concha, Christoph W. Müller

published 03 Sep 2024

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Insilico exploration C. koseri ATP synthase inhibitors by pharmacophore-based virtual screening, molecular docking and MD simulation

Abdullah R. Alanzi, Alanazi A. Z., Khalid Alhazzani

published 22 Aug 2024

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Engineering receptor-binding domain and heptad repeat domains towards the development of multi-epitopes oral vaccines against SARS-CoV-2 variants

Nur Farhanah Arshad, Fariza Juliana Nordin, Lian Chee Foong, Lionel Lian Aun In, Michelle Yee Mun Teo

published 15 Aug 2024

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In silico exploration of PD-L1 binding compounds: Structure-based virtual screening, molecular docking, and MD simulation

Abdullah Alanzi, Ashaimaa Y. Moussa, Ramzi A. Mothana, Munawar Abbas, Ijaz Ali

published 09 Aug 2024

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An in silico investigation on the binding site preference of PD-1 and PD-L1 for designing antibodies for targeted cancer therapy

Sarah Abdolmaleki, Mazdak Ganjalikhani hakemi, Mohamad Reza Ganjalikhany

published 25 Jul 2024

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Positive charges promote the recognition of proteins by the chaperone SlyD from Escherichia coli

Daniel Lindemeier, Wenke Graubner, Denise Mehner-Breitfeld, Miroslav Malešević, Thomas Brüser

published 25 Jun 2024

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Expression and purification of human neutrophil proteinase 3 from insect cells and characterization of ligand binding

Fahimeh Khorsand, Bengt Erik Haug, Inari Kursula, Nathalie Reuter, Ruth Brenk

published 25 Jun 2024

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