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Macromolecular structure analysis

Exploration of effective pharmacological inhibitors for NS5 protein through computational approach: A strategy to combat the neglected Kyasanur forest disease virus

Sharanappa Achappa, Nayef Abdulaziz Aldabaan, Mohammed Alasmary, Ibrahim Ahmed Shaikh, Mater H. Mahnashi, Shivalingsarj V. Desai, Uday M. Muddapur, Aejaz Abdullatif Khan, Basheerahmed Abdulaziz Mannasaheb

published 10 Jul 2025

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C1-linker region of PARG1 RhoGAP promotes the catalytic recognition fold of RhoA substrate

Zen Kouchi, Masaki Kojima

published 09 Jul 2025

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Proteomic analysis unveils host-parasite interactions in Aedes togoi infected with Dirofilaria immitis and Brugia pahangi

Wei Yin Vinnie-Siow, Van Lun Low, Hwa Chia Chai, Yvonne Ai-Lian Lim, Tiong Kai Tan

published 09 Jul 2025

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Tracing the function expansion for a primordial protein fold in the era of fold-based function prediction: β-trefoil

Moushmi Goswami, Subhashini Srinivasan

published 03 Jul 2025

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Structural impact of synonymous mutations in six SARS-CoV-2 Variants of Concern

Alison Ziesel, Hosna Jabbari

published 01 Jul 2025

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Network pharmacognosy of Galphimia glauca: Mapping the molecular landscape of a traditional Mexican medicinal plant

María José Cambero Acosta, Guillermo de Anda-Jáuregui

published 01 Jul 2025

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Using computer-generated protein models to analyze mutations linked to Amelogenesis Imperfecta

Nazlee Sharmin, Jerald Yuan, Ava K. Chow

published 26 Jun 2025

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Conditional knockout of C/EBPβ in epidermis results in dysregulated lipid biosynthesis and a defect in skin barrier function

Kevin J. Mills, Michael Doyle, John S. House, John G. Witherspoon, Daniel Krakko, Whitney L. Stutts, Jessie R. Chappel, Jonathan R. Hall, Erin S. Baker, Robert C. Smart

published 25 Jun 2025

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Exploring varicella zoster virus proteome for construction and validation of a multi-epitope based subunit vaccine using multifaceted immunoinformatics approaches

Yassir A. Almofti, Amna A. Ibrahim, Nuha A. Mahmoud, Abdelmajeed M. Elshafei, Nosiba Ibrahim, Ibrahim Albokhadaim, Saad Shousha, Ahmed O. Alameen, Nawal Elkhair, Mahmoud G. El Sebaei, Mahmoud Kandeel, Samir Alhojaily, Sheryar Afzal, Mohammed Ali Al-Hammadi, Ghada M, Ali Attiq, Yuan-Seng Wu

published 24 Jun 2025

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Short tandem repeat variants are possibly associated with RNA secondary structure and gene expression

Nick Kinney, Dikshya Pathak, Emma Evans, Paola Arias

published 18 Jun 2025

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Linalool-based silver nanoconjugates as potential therapeutics for glioblastoma: in silico and in vitro insights

Hina Manzoor, Muhammad Umer Khan, Samiullah Khan, Mohibullah Shah, Chaudhry Ahmed Shabbir, Hamad M. Alkhtani

published 12 Jun 2025

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Titration-WB: A methodology for accurate quantitative protein determination overcoming reproducibility errors

Alice Maestri, Ewa Ehrenborg, Olivera Werngren, Maria Olin, Carolina E. Hagberg, Matteo Pedrelli, Paolo Parini

published 12 Jun 2025

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Identifying pastoral and plant products in local and imported pottery in Early Bronze Age southeastern Arabia

Akshyeta Suryanarayan, Sophie Méry, Jennifer Swerida, Michele Degli Esposti, Eli Dollarhide, Stephanie Döpper, Khaled A. Douglas, Daniel Eddisford, Nasser S. Al-Jahwari, Arnaud Mazuy, Núria Moraleda-Cibrián, Michel de Vreeze, Joan Villanueva, Cameron A. Petrie, Martine Regert

published 11 Jun 2025

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