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Protein structure databases

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

Design and synthesis of multi-functional small-molecule based inhibitors of amyloid-β aggregation: Molecular modeling and in vitro evaluation

Awwad A. Radwan, Fars K. Alanazi, Mohammad Raish

MTSviewer: A database to visualize mitochondrial targeting sequences, cleavage sites, and mutations on protein structures

Andrew N. Bayne, Jing Dong, [ ... ], Jean-François Trempe

Molecular dynamics of the ERRγ ligand-binding domain bound with agonist and inverse agonist

Santanu Sasidharan, Kamalakannan Radhakrishnan, [ ... ], Donghyun Shin

Interleukin-10 as Covid-19 biomarker targeting KSK and its analogues: Integrated network pharmacology

Vidhya Rajalakshmi V., Akilandeswari Ramu, [ ... ], Thangavelu Sathiamoorthi

Using AlphaFold to predict the impact of single mutations on protein stability and function

Marina A. Pak, Karina A. Markhieva, [ ... ], Dmitry N. Ivankov

B-cell epitope discovery: The first protein flexibility-based algorithm–Zika virus conserved epitope demonstration

Daniel W. Biner, Jason S. Grosch, Peter J. Ortoleva

Identification of potential therapeutic intervening targets by in-silico analysis of nsSNPs in preterm birth-related genes

Muhammad Bilal Azmi, Waqasuddin Khan, [ ... ], Fyezah Jehan

Roadmap to the study of gene and protein phylogeny and evolution—A practical guide

Florian Jacques, Paulina Bolivar, Kristian Pietras, Emma U. Hammarlund

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