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Protein structure databases

Systematic analysis of the relationship between fold-dependent flexibility and artificial intelligence protein structure prediction

Neshatul Haque, Jessica B. Wagenknecht, Brian D. Ratnasinghe, Michael T. Zimmermann

published 26 Nov 2024

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Ononin delays the development of osteoarthritis by down-regulating MAPK and NF-κB pathways in rat models

Fang Xu, Zhaocong Li, Yueming Jiang, Ting Liao, Michael Aschner, Qingjun Wei

published 31 Oct 2024

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Assessing anti oxidant, antidiabetic potential and GCMS profiling of ethanolic root bark extract of Zanthoxylum rhetsa (Roxb.) DC: Supported by in vitro, in vivo and in silico molecular modeling

Apurba Kumar Barman, Sumaiya Mahadi, Md Arju Hossain, Rahima Begum, Rabindra Nath Acharyya, Marjana Alam, Md. Habibur Rahman, Nripendra Nath Biswas, A. S. M. Monjur Al Hossain

published 19 Aug 2024

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An in silico investigation on the binding site preference of PD-1 and PD-L1 for designing antibodies for targeted cancer therapy

Sarah Abdolmaleki, Mazdak Ganjalikhani hakemi, Mohamad Reza Ganjalikhany

published 25 Jul 2024

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Bioinformatics for Dentistry: A secondary database for the genetics of tooth development

Ava K. Chow, Rachel Low, Jerald Yuan, Karen K. Yee, Jaskaranjit Kaur Dhaliwal, Shanice Govia, Nazlee Sharmin

published 06 Jun 2024

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Atomistic description of the OCTN1 recognition mechanism via in silico methods

Omar Ben Mariem, Luca Palazzolo, Beatrice Torre, Yao Wei, Davide Bianchi, Uliano Guerrini, Tommaso Laurenzi, Simona Saporiti, Emma De Fabiani, Lorena Pochini, Cesare Indiveri, Ivano Eberini

published 03 Jun 2024

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GTExome: Modeling commonly expressed missense mutations in the human genome

Jill Hoffman, Henry Tan, Clara Sandoval-Cooper, Kaelyn de Villiers, Scott M. Reed

published 30 May 2024

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

Jonah Einson, Mariia Minaeva, Faiza Rafi, Tuuli Lappalainen

published 13 Mar 2024

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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, Dipankor Chatterjee, Md. Omar Faruk, Md. Ismail Hosen

published 02 Jan 2024

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

Mo Ahamad Khan, Ismail Celik, Haris M. Khan, Mohammad Shahid, Anwar Shahzad, Sachin Kumar, Bilal Ahmed

published 19 Dec 2023

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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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