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Macromolecular structure analysis

Exploration of alpha-glucosidase inhibitors: A comprehensive in silico approach targeting a large set of triazole derivatives

Oussama Abchir, Meriem Khedraoui, [ ... ], Samir Chtita

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

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

A charged tail on anti-α-Synuclein antibodies does not enhance their affinity to α-Synuclein fibrils

Inga Petersen, Ana Godec, [ ... ], Greta Hultqvist

Comparative analysis of the LARP1 C-terminal DM15 region through Coelomate evolution

Elaine Nguyen, Jahree A. Sosa, Kevin C. Cassidy, Andrea J. Berman

AlphaFold-SFA: Accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics

Shray Vats, Raitis Bobrovs, Pär Söderhjelm, Soumendranath Bhakat

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

Proteome-scale prediction of molecular mechanisms underlying dominant genetic diseases

Mihaly Badonyi, Joseph A. Marsh

Unveiling the potential of phytochemicals to inhibit nuclear receptor binding SET domain protein 2 for cancer: Pharmacophore screening, molecular docking, ADME properties, and molecular dynamics simulation investigations

Gamal A. Mohamed, Hossam M. Abdallah, [ ... ], Abdulrahim A. Alzain

Assessing anti oxidant, antidiabetic potential and GCMS profiling of ethanolic root bark extract of Zanthoxylum rhetsa (Roxb.) DC: Supported by in vitro, in vivo and in silico molecular modeling

Apurba Kumar Barman, Sumaiya Mahadi, [ ... ], A. S. M. Monjur Al Hossain

Nationally endorsed learning objectives to improve course design in introductory biology

Kelly M. Hennessey, Scott Freeman

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

Disruption of the nascent polypeptide-associated complex leads to reduced polyglutamine aggregation and toxicity

Leeran B. Dublin-Ryan, Ankan K. Bhadra, Heather L. True

The Entamoeba histolytica Vps26 (EhVps26) retromeric protein is involved in phagocytosis: Bioinformatic and experimental approaches

Diana Martínez-Valencia, Cecilia Bañuelos, [ ... ], Esther Orozco

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