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Protein structure

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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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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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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Computational investigation unveils pathogenic LIG3 non-synonymous mutations and therapeutic targets in acute myeloid leukemia

Md. Arif Hossen, Umme Mim Sad Jahan, Md. Arju Hossain, Khalid Hossain Asif, Ahona Rahman, Sabbir Ahmed, Md. Moin Uddin, Md Faisal Amin, Muhammad Abdul Barik, Mohammod Johirul Islam, Mohammad Kamruzzaman, Soharth Hasnat, Mohammad Nasir Uddin, Tofazzal Islam, M. Nazmul Hoque

published 10 Jun 2025

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In silico analysis of quorum sensing modulators: Insights into molecular docking and dynamics and potential therapeutic applications

Ali Alisaac

published 09 Jun 2025

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Fixed-axis spacelike ruled surfaces and their evolute offsets

Areej A. Almoneef, Rashad A. Abdel-Baky

published 06 Jun 2025

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KIFC1 inhibition: Exploring the potential of propolis-derived small molecules for targeting cancer progression through in silico analysis

Muhammad Bilal Azmi, Simran Kumari, Sakina Aquil, Urooj Nizami, Arisha Sohail, Syed Danish Haseen Ahmed, Shamim Akhtar Qureshi

published 05 Jun 2025

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The third intracellular loop of Drosophila Lilipod is required for protein function in vivo and can mediate protein-protein interactions in vitro

Merin Vellooparambil Roy, Scott J. Neal, Francesca Pignoni

published 04 Jun 2025

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Probing the binding hypothesis of Smad3 modulators by molecular dynamic simulations for Atherosclerosis Cardiovascular Disease (ASCVD)

Ubair Aziz, Ishrat Jabeen

published 04 Jun 2025

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Benchmarking inverse folding models for antibody CDR sequence design

Yifan Li, Yuxiang Lang, Chenrui Xu, Yi Zhou, Ziwei Pang, Per Jr. Greisen

published 04 Jun 2025

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Discovery of novel targets for important human and plant fungal pathogens via an automated computational pipeline HitList

David E. Condon, Brenda K. Schroeder, Paul A. Rowley, F. Marty Ytreberg

published 03 Jun 2025

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