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Protein structure

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

Inga Petersen, Ana Godec, Farahnaz Ranjbarian, Anders Hofer, Claudio Mirabello, Greta Hultqvist

published 29 Aug 2024

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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

published 27 Aug 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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Proteome-scale prediction of molecular mechanisms underlying dominant genetic diseases

Mihaly Badonyi, Joseph A. Marsh

published 22 Aug 2024

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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, Ikhlas A. Sindi, Sabrin R. M. Ibrahim, Abdulrahim A. Alzain

published 20 Aug 2024

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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, Md Arju Hossain, Rahima Begum, Rabindra Nath Acharyya, Marjana Alam, Md. Habibur Rahman, Nripendra Nath Biswas, A. S. M. Monjur Al Hossain

published 19 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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Disruption of the nascent polypeptide-associated complex leads to reduced polyglutamine aggregation and toxicity

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

published 15 Aug 2024

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

Diana Martínez-Valencia, Cecilia Bañuelos, Guillermina García-Rivera, Daniel Talamás-Lara, Esther Orozco

published 08 Aug 2024

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Protein ligand binding site prediction using graph transformer neural network

Ryuichiro Ishitani, Mizuki Takemoto, Kentaro Tomii

published 06 Aug 2024

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In silico approaches to study the human asparagine synthetase: An insight of the interaction between the enzyme active sites and its substrates

Anam Riaz, Afshan Kaleem, Roheena Abdullah, Mehwish Iqtedar, Daniel C. Hoessli, Mahwish Aftab

published 02 Aug 2024

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AmiR-P³: An AI-based microRNA prediction pipeline in plants

Sobhan Ataei, Jafar Ahmadi, Sayed-Amir Marashi, Ilia Abolhasani

published 01 Aug 2024

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A label-free G-quadruplex aptamer/gold nanoparticle-based colorimetric biosensor for rapid detection of bovine viral diarrhea virus genotype 1

Parisa Rabiei, Hassan Mohabatkar, Mandana Behbahani

published 30 Jul 2024

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