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Protein structure databases

In silico analysis of TRPM4 variants of unknown clinical significance

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

published 15 Dec 2023

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In-silico selection of peptides for the recognition of imidacloprid

Sarah Aldulaijan

published 12 Dec 2023

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

Nikoletta Katsaouni, Pablo Llavona, Yascha Khodamoradi, Ann-Kathrin Otto, Stephanie Körber, Christof Geisen, Christian Seidl, Maria J. G. T. Vehreschild, Sandra Ciesek, Jörg Ackermann, Ina Koch, Marcel H. Schulz, Daniela S. Krause

published 16 Nov 2023

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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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