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Protein structure databases

Atomistic description of the OCTN1 recognition mechanism via in silico methods

Omar Ben Mariem, Luca Palazzolo, [ ... ], Ivano Eberini

GTExome: Modeling commonly expressed missense mutations in the human genome

Jill Hoffman, Henry Tan, [ ... ], Scott M. Reed

The impact of genetically controlled splicing on exon inclusion and protein structure

Jonah Einson, Mariia Minaeva, Faiza Rafi, Tuuli Lappalainen

Comprehensive characterization of coding and non-coding single nucleotide polymorphisms of the Myoneurin (MYNN) gene using molecular dynamics simulation and docking approaches

Sadia Islam Mou, Tamanna Sultana, [ ... ], Md. Ismail Hosen

Antibiofilm and anti-quorum sensing activity of Psidium guajava L. leaf extract: In vitro and in silico approach

Mo Ahamad Khan, Ismail Celik, [ ... ], Bilal Ahmed

In silico analysis of TRPM4 variants of unknown clinical significance

Svetlana I. Tarnovskaya, Anna A. Kostareva, Boris S. Zhorov

In-silico selection of peptides for the recognition of imidacloprid

Sarah Aldulaijan

Dataset of single nucleotide polymorphisms of immune-associated genes in patients with SARS-CoV-2 infection

Nikoletta Katsaouni, Pablo Llavona, [ ... ], Daniela S. Krause

Study on the mechanism of Shenkang injection in the treatment of chronic renal failure based on the strategy of "Network pharmacology—Molecular docking—Key target validation"

Lin Zhou, Xiaohui Wang, [ ... ], Jinlan Xia

Characterization of a virulence factor in Plasmodiophora brassicae, with molecular markers for identification

Afsaneh Sedaghatkish, Bruce D. Gossen, Mary Ruth McDonald

Structural bioinformatics studies of bacterial outer membrane beta-barrel transporters and their AlphaFold2 predicted water-soluble QTY variants

Akash Sajeev-Sheeja, Eva Smorodina, Shuguang Zhang

The assessment of molecular dynamics results of three-dimensional RNA aptamer structure prediction

Bejo Ropii, Maulidwina Bethasari, [ ... ], Reza Aditama

On closing the inopportune gap with consistency transformation and iterative refinement

Mario João Jr., Alexandre C. Sena, Vinod E. F. Rebello

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