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Biological databases

Integration of pharmacophore-based virtual screening, molecular docking, ADMET analysis, and MD simulation for targeting EGFR: A comprehensive drug discovery study using commercial databases

Abdullah R. Alanzi, Ashaimaa Y. Moussa, Mohammed S. Alsalhi, Tayyab Nawaz, Ijaz Ali

published 09 Dec 2024

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MetaCONNET: A metagenomic polishing tool for long-read assemblies

Bingru Sun, Jian Guo, Hao Jin, Zijie Jin, Yaping Sun, Yuanchen Mao, Fuli Xie, Yun He, Zhihong Sun, Wei Li, Igor Ivanov, Hui Tian

published 03 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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Gentiopicroside-Induced gastric cancer necroptosis via the HIF-1 signaling pathway: A study involving molecular docking and experimental validation

Bo Xiong, Mingjie Fan, Zhihui Wang, Xiaolu Yang, Shan Cao, Jie Shen, Beibei Fan

published 21 Nov 2024

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Computational investigation of missense somatic mutations in cancer and potential links to pH-dependence and proteostasis

Shalaw Sallah, Jim Warwicker

published 19 Nov 2024

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Proteomic and ubiquitinome analysis reveal that microgravity affects glucose metabolism of mouse hearts by remodeling non-degradative ubiquitination

Xin Zhang, Xuemei Zhou, Zhiwei Tu, Lihua Qiang, Zhe Lu, Yuping Xie, Cui Hua Liu, Lingqiang Zhang, Yesheng Fu

published 14 Nov 2024

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Riddelline from Tamarix articulate as a potential anti-bacterial lead compound for novel antibiotics discovery: A comprehensive computational and toxicological studies

Abdullah M. Alnuqaydan

published 14 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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Reference Sequence Browser: An R application with a user-friendly GUI to rapidly query sequence databases

Sriram Ramesh, Samuel Rapp, Jorge Tapias Gomez, Benjamin Levine, Daniel Tapias-Gomez, Dickson Chung, Zia Truong

published 31 Oct 2024

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Interactions between microbiota and uterine corpus endometrial cancer: A bioinformatic investigation of potential immunotherapy

Samia S. Alkhalil, Taghreed N. Almanaa, Raghad A. Altamimi, Mohnad Abdalla, Amr Ahmed El-Arabey

published 30 Oct 2024

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Unbiased complexome profiling and global proteomics analysis reveals mitochondrial impairment and potential changes at the intercalated disk in presymptomatic R14^Δ/+ mice hearts

Brian Foo, Hugo Amedei, Surmeet Kaur, Samir Jaawan, Angela Boshnakovska, Tanja Gall, Rudolf A. de Boer, Herman H. W. Silljé, Henning Urlaub, Peter Rehling, Christof Lenz, Stephan E. Lehnart

published 24 Oct 2024

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Environmental DNA as a complementary tool for biodiversity monitoring: A multi-technique and multi-trophic approach to investigate cetacean distribution and feeding ecology

Luís Afonso, Joana Costa, Ana Mafalda Correia, Raul Valente, Eva Lopes, Maria Paola Tomasino, Ágatha Gil, Cláudia Oliveira-Rodrigues, Isabel Sousa Pino, Alfredo López, Paula Suarez-Bregua, Catarina Magalhães

published 16 Oct 2024

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