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Protein structure

Identification of core therapeutic targets for Monkeypox virus and repurposing potential of drugs: A WEB prediction approach

Huaichuan Duan, Quanshan Shi, Xinru Yue, Zelan Zhang, Ling Liu, Yueteng Wang, Yujie Cao, Zuoxin Ou, Li Liang, Jianping Hu, Hubing Shi

published 06 Dec 2024

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A percolation theory analysis of continuous functional paths in protein sequence space affirms previous insights on the optimization of proteins for adaptability

Brian J. Miller

published 05 Dec 2024

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Computational investigation of naturally occurring anticancer agents in regulating Hedgehog pathway proteins

Renu Pai, Divijendranatha Reddy Sirigiri, Rajyalakshmi Malempati, Saisha Vinjamuri

published 03 Dec 2024

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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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Role of ruscogenin extracted from Radix Ophiopogon Japonicus in antagonizing 5-hydroxytryptamine and dopamine receptors through computational screening

Suya Ma, Yongmei Liu

published 19 Nov 2024

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Integrated virtual screening and MD simulation study to discover potential inhibitors of mycobacterial electron transfer flavoprotein oxidoreductase

Kaleem Arshad, Jahanzab Salim, Muhammad Ali Talat, Asifa Ashraf, Nazia Kanwal

published 15 Nov 2024

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Computational analysis of the deleterious non-synonymous single nucleotide polymorphisms (nsSNPs) in TYR gene impacting human tyrosinase protein and the protein stability

Wei Fan, Heng Li Ji, Mohibullah Kakar, Shabbir Ahmed, Hussah M. Alobaid, Yasmeen Shakir

published 14 Nov 2024

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Direct activation of HSF1 by macromolecular crowding and misfolded proteins

Oliver Simoncik, Vlastimil Tichy, Michal Durech, Lenka Hernychova, Filip Trcka, Lukas Uhrik, Miroslav Bardelcik, Philip J. Coates, Borivoj Vojtesek, Petr Muller

published 04 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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Identification of interaction partners of outer inflammatory protein A: Computational and experimental insights into how Helicobacter pylori infects host cells

Sümeyye Akcelik-Deveci, Elif Kılıç, Nesteren Mansur-Ozen, Emel Timucin, Yaren Buyukcolak, Sinem Oktem-Okullu

published 29 Oct 2024

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Design and antiviral assessment of a panel of fusion proteins targeting human papillomavirus type 16

Chongzhi Bai, Ruoyu Wang, Qian Yang, Jianqing Hao, Qiming Zhong, Ruiwen Fan, Pengcheng Han

published 25 Oct 2024

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The oral pathogen Porphyromonas gingivalis gains tolerance to the antimicrobial peptide DGL13K by synonymous mutations in hagA

Sven-Ulrik Gorr, Ruoqiong Chen, Juan E. Abrahante, Paul B. M. Joyce

published 24 Oct 2024

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Engineered red Opto-mGluR6 Opsins, a red-shifted optogenetic excitation tool, an in vitro study

Hoda Shamsnajafabadi, Zahra-Soheila Soheili, Mehdi Sadeghi, Shahram Samiee, Pouria Ghasemi, Mohammad Ismail Zibaii, Hamid Gholami Pourbadie, Hamid Ahmadieh, Ehsan Ranaei Pirmardan, Najmeh Salehi, Dorsa Samiee, Ali Kashanian

published 24 Oct 2024

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