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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, Zhi Sun, Xiaoyue Bao, Lianping Xue, Zhanmei Xu, Pengfei Dong, Jinlan Xia

published 05 Oct 2023

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

Afsaneh Sedaghatkish, Bruce D. Gossen, Mary Ruth McDonald

published 14 Sep 2023

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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

published 22 Aug 2023

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

Bejo Ropii, Maulidwina Bethasari, Isa Anshori, Allya Paramita Koesoema, Wervyan Shalannanda, Ardianto Satriawan, Casi Setianingsih, Mohammad Rizki Akbar, Reza Aditama

published 27 Jul 2023

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On closing the inopportune gap with consistency transformation and iterative refinement

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

published 13 Jul 2023

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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

published 25 May 2023

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

Andrew N. Bayne, Jing Dong, Saeid Amiri, Sali M. K. Farhan, Jean-François Trempe

published 24 Apr 2023

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

Santanu Sasidharan, Kamalakannan Radhakrishnan, Jun-Yeong Lee, Prakash Saudagar, Vijayakumar Gosu, Donghyun Shin

published 06 Apr 2023

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

Vidhya Rajalakshmi V., Akilandeswari Ramu, Jayaprakash Chinnappan, Palanivel Velmurugan, Rajiv Pathak, Rami Adel Pashameah, Atif Abdulwahab A. Oyouni, Osama M. Al-Amer, Mohammed I. Alasseiri, Abdullah Hamadi, Mansuor A. Alanazi, Thangavelu Sathiamoorthi

published 29 Mar 2023

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

Marina A. Pak, Karina A. Markhieva, Mariia S. Novikova, Dmitry S. Petrov, Ilya S. Vorobyev, Ekaterina S. Maksimova, Fyodor A. Kondrashov, Dmitry N. Ivankov

published 16 Mar 2023

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

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

published 15 Mar 2023

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

Muhammad Bilal Azmi, Waqasuddin Khan, M. Kamran Azim, Muhammad Imran Nisar, Fyezah Jehan

published 07 Mar 2023

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

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

published 24 Feb 2023

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