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Macromolecular structure analysis

Mechanistic insights into Alpha-Synuclein binding to P2RX7: A molecular dynamic and docking study

Mukesh Kumar, Kanchan Singh, Jayant Joshi, Shreya Sharma, Amit Kumar, Karuna Irungbam, Manish Mahawar, Mohini Saini

published 02 May 2025

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A divide-and-conquer approach based on deep learning for long RNA secondary structure prediction: Focus on pseudoknots identification

Loïc Omnes, Eric Angel, Pierre Bartet, François Radvanyi, Fariza Tahi

published 25 Apr 2025

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Molecular activity of bioactive phytocompounds for inhibiting host cell attachment and membrane fusion interacting with West Nile Virus envelope glycoprotein

Noimul Hasan Siddiquee, Shanjida Akter Joyoti, Bushra Binte Zaker, Mansura Akter Eva, Alif Islam Nava, Nusrat Jahan Mridu, Al Amin Shawon, Sanjida Rahman, Tasnuva Jamil Chowdhury, Susmita Sarkar Katha, Md. Rafiul Islam, Mohammad Sharif Uddin

published 24 Apr 2025

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Identification of potential riboswitch elements in Homo sapiens mRNA 5’UTR sequences using positive-unlabeled machine learning

William S Raymond, Jacob DeRoo, Brian Munsky

published 24 Apr 2025

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Chameleon sequences—Structural effects

Mateusz Slupina, Katarzyna Stapor, Leszek Konieczny, Krzysztof Gądek, Piotr Nowakowski, Irena Roterman

published 22 Apr 2025

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Elucidating the structural dynamics induced by active site mutations in 3C protease of foot-and-mouth disease virus

Sthitaprajna Sahoo, Hak-Kyo Lee, Donghyun Shin

published 21 Apr 2025

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A method for site-specifically tethering the enzyme urease to DNA origami with sustained activity

Ian Murphy, Keren Bobilev, Daichi Hayakawa, Eden Ikonen, Thomas E. Videbæk, Shibani Dalal, Wylie W. Ahmed, Jennifer L. Ross, W. Benjamin Rogers

published 21 Apr 2025

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Optimizing lipocalin sequence classification with ensemble deep learning models

Yonglin Zhang, Lezheng Yu, Li Xue, Fengjuan Liu, Runyu Jing, Jiesi Luo

published 16 Apr 2025

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Bioinformatics analysis and development of functional markers for TaMYB4-1A in wheat

Dan Zhao, Yuru Ma, Yufeng Yang, Zhaoyang Li, Chaoran Wang, Yuhan Fu, Yang Chen, Tengteng Zhang, Yi Ding, Huiqiang Wang, Xuehui Zhang, Hao Zhang

published 15 Apr 2025

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Edge-enhanced interaction graph network for protein-ligand binding affinity prediction

Dinghai Yang, Linai Kuang, An Hu

published 08 Apr 2025

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Assessing interface accuracy in macromolecular complexes

Olgierd Ludwiczak, Maciej Antczak, Marta Szachniuk

published 02 Apr 2025

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PUNCH2: Explore the strategy for intrinsically disordered protein predictor

Di Meng, Gianluca Pollastri

published 26 Mar 2025

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Screening potential anti-osteoarthritis compounds using molecular docking based on MAPK and NFκB pathways and validating their anti-osteoarthritis effect

Tian-Wang Zhu, Yu Zheng, Rui-Xin Li

published 25 Mar 2025

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