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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, [ ... ], Khursheed Muzammil

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

Samantha M. Powell, Leah G. Jarsberg, [ ... ], Jon M. Jacobs

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

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

Zhican Huang, Ting Cui, [ ... ], Haiyan Zhou

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

Anda Stan, Korey Bosart, [ ... ], Ruben C. Petreaca

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

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

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

Sana Waheed, Kainat Ramzan, [ ... ], Ahmed Bari

Building an ab initio solvated DNA model using Euclidean neural networks

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

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

Julius Ramakers, Christopher Frederik Blum, [ ... ], Markus Kollmann

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

Tianxiu Yin, Xiaoyue Zhu, [ ... ], Bei Wang

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

Chawalit Chatupheeraphat, Jiratchaya Peamchai, [ ... ], Warawan Eiamphungporn

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, [ ... ], Nor Afiqah-Aleng

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