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Macromolecular structure analysis

Assessing the efficacy of cinnamon compounds against H. pylori through molecular docking, MD Simulations and ADMET analyses

Muhammad Farhan Sarwar, Afnan Zahra, Mudassar Fareed Awan, Sajed Ali, Muhammad Shafiq, Khursheed Muzammil

published 11 Mar 2024

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Longitudinal analysis of host protein serum signatures of treatment and recovery in pulmonary tuberculosis

Samantha M. Powell, Leah G. Jarsberg, Erin L. M. Zionce, Lindsey N. Anderson, Marina A. Gritsenko, Payam Nahid, Jon M. Jacobs

published 29 Feb 2024

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Enzymatic properties of UDP-glycosyltransferase 89B1 from radish and modulation of enzyme catalytic activity via loop region mutation

Hiroyuki Ohashi, Daisuke Koma, Hayato Yamanaka, Takashi Ohmoto

published 28 Feb 2024

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Potential association of genetically predicted lipid and lipid-modifying drugs with rheumatoid arthritis: A Mendelian randomization study

Zhican Huang, Ting Cui, Jin Yao, Yutong Wu, Jun Zhu, Xin Yang, Li Cui, Haiyan Zhou

published 28 Feb 2024

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Detection of driver mutations and genomic signatures in endometrial cancers using artificial intelligence algorithms

Anda Stan, Korey Bosart, Mehak Kaur, Martin Vo, Wilber Escorcia, Ryan J. Yoder, Renee A. Bouley, Ruben C. Petreaca

published 26 Feb 2024

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Suboptimal capability of individual machine learning algorithms in modeling small-scale imbalanced clinical data of local hospital

Gang Li, Chenbi Li, Chengli Wang, Zeheng Wang

published 23 Feb 2024

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Deciphering the structure of a multi-drug resistant Acinetobacter baumannii short-chain dehydrogenase reductase

Mahdi Abedinzadeh Shahri, Paniz Shirmast, Seyed Mohammad Ghafoori, Jade Kenneth Forwood

published 23 Feb 2024

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Identification and In-Silico study of non-synonymous functional SNPs in the human SCN9A gene

Sana Waheed, Kainat Ramzan, Sibtain Ahmad, Muhammad Saleem Khan, Muhammad Wajid, Hayat Ullah, Ali Umar, Rashid Iqbal, Riaz Ullah, Ahmed Bari

published 23 Feb 2024

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Building an ab initio solvated DNA model using Euclidean neural networks

Alex J. Lee, Joshua A. Rackers, Shivesh Pathak, William P. Bricker

published 15 Feb 2024

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De novo prediction of RNA 3D structures with deep generative models

Julius Ramakers, Christopher Frederik Blum, Sabrina König, Stefan Harmeling, Markus Kollmann

published 15 Feb 2024

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The causal relationship between 25-hydroxyvitamin D and serum lipids levels: A bidirectional two-sample mendelian randomization study

Tianxiu Yin, Xiaoyue Zhu, Zhiliang He, Hexiang Bai, Chenye Shen, Ruoyu Li, Bei Wang

published 14 Feb 2024

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Enhancing the activity of β-lactamase inhibitory protein-II with cell-penetrating peptide against KPC-2-carrying Klebsiella pneumoniae

Chawalit Chatupheeraphat, Jiratchaya Peamchai, Noramon Kaewsai, Nuttapat Anuwongcharoen, Warawan Eiamphungporn

published 26 Jan 2024

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Molecular docking and dynamics simulation studies uncover the host-pathogen protein-protein interactions in Penaeus vannamei and Vibrio parahaemolyticus

Nur Fathiah Rosilan, Muhamad Arif Mohamad Jamali, Siti Aishah Sufira, Khor Waiho, Hanafiah Fazhan, Noraznawati Ismail, Yeong Yik Sung, Zeti-Azura Mohamed-Hussein, Azzmer Azzar Abdul Hamid, Nor Afiqah-Aleng

published 24 Jan 2024

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