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Protein structure

Analysis of a new negevirus-like sequence from Bemisia tabaci unveils a potential new taxon linking nelorpi- and centiviruses

Diego F. Quito-Avila, Edison Reyes-Proaño, [ ... ], Francisco F. Flores

The molecular interaction of six single-stranded DNA aptamers to cardiac troponin I revealed by docking and molecular dynamics simulation

Bejo Ropii, Maulidwina Bethasari, [ ... ], Muhammad Aziz

Computational investigation of cis-1,4-polyisoprene binding to the latex-clearing protein LcpK30

Aziana Abu Hassan, Marko Hanževački, Anca Pordea

Predicting hotspots for disease-causing single nucleotide variants using sequences-based coevolution, network analysis, and machine learning

Wenjun Zheng

AlphaFold2 modeling and molecular dynamics simulations of an intrinsically disordered protein

Hao-Bo Guo, Baxter Huntington, [ ... ], Rajiv Berry

Multi-epitope vaccine design using in silico analysis of glycoprotein and nucleocapsid of NIPAH virus

Anoop Kumar, Gauri Misra, Sreelekshmy Mohandas, Pragya D. Yadav

Exploring the fragmentation efficiency of proteins analyzed by MALDI-TOF-TOF tandem mass spectrometry using computational and statistical analyses

Jihyun Park, Clifton K. Fagerquist

Correlating transcription and protein expression profiles of immune biomarkers following lipopolysaccharide exposure in lung epithelial cells

Daniel E. Jacobsen, Makaela M. Montoya, [ ... ], Harshini Mukundan

Solution structure and pressure response of thioredoxin-1 of Plasmodium falciparum

Claudia Elisabeth Munte, Hans Robert Kalbitzer

Biophysical characterization of the CXC chemokine receptor 2 ligands

Patrick Martin, Emily A. Kurth, [ ... ], Ellinor Haglund

In silico study of alkaloids with quercetin nucleus for inhibition of SARS-CoV-2 protease and receptor cell protease

Ali Mohebbi, Marzieh Eskandarzadeh, Hanieh Zangi, Marzie Fatehi

Structural bioinformatics studies of glutamate transporters and their AlphaFold2 predicted water-soluble QTY variants and uncovering the natural mutations of L->Q, I->T, F->Y and Q->L, T->I and Y->F

Alper Karagöl, Taner Karagöl, Eva Smorodina, Shuguang Zhang

Searching for new plastic-degrading enzymes from the plastisphere of alpine soils using a metagenomic mining approach

Beat Frey, Margherita Aiesi, [ ... ], Ivano Brunner

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