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Protein structure

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

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

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

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

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

Improving structure-based protein-ligand affinity prediction by graph representation learning and ensemble learning

Jia Guo

Effect of growing regions on morphological characteristics, protein subfractions, rumen degradation and molecular structures of various whole-plant silage corn cultivars

Xinyue Zhang, Nazir Ahmad Khan, [ ... ], Hangshu Xin

Comprehensive characterization of coding and non-coding single nucleotide polymorphisms of the Myoneurin (MYNN) gene using molecular dynamics simulation and docking approaches

Sadia Islam Mou, Tamanna Sultana, [ ... ], Md. Ismail Hosen

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