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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

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, [ ... ], Alaa H. M. Abdelrahman

Direct activation of HSF1 by macromolecular crowding and misfolded proteins

Oliver Simoncik, Vlastimil Tichy, [ ... ], Petr Muller

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

The final walk with preptin

Lucie Mrázková, Marta Lubos, [ ... ], Lenka Žáková

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, [ ... ], Russell J. Buono

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

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

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

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, [ ... ], Michelle Yee Mun Teo

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

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

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

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

Daniel Lindemeier, Wenke Graubner, [ ... ], Thomas Brüser

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

Fahimeh Khorsand, Bengt Erik Haug, [ ... ], Ruth Brenk

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