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Macromolecular structure analysis

Common molecular links and therapeutic insights between type 2 diabetes and kidney cancer

Reaz Ahmmed, Mohammad Amirul Islam, [ ... ], Md. Nurul Haque Mollah

Amino acid residues 655 and 969 in the spike protein of Omicron subvariant BA.1 control use of TMPRSS2 versus Cathepsin L dependent entry pathways and cell tropism

Cheila Rocha, Prerna Arora, [ ... ], Markus Hoffmann

Gout management: Patent analytics and computational drug design explores URAT1 inhibitors landscape

Jiaxin Zhang, Liang Hong, [ ... ], Jing Zhao

Revealing bioremediation potential of novel indigenous bacteria from oil-contaminated sites in the UAE: A combined bioinformatics and experimental validation

Sara Awni Alkhatib, Sagar Arya, [ ... ], Anna-Maria Pappa

Changes in the pulmonary surfactant in patients with mild to moderate COVID-19

Spela Kokelj, Per Larsson, [ ... ], Anna-Carin Olin

ProProtein: A platform for fully automated identification of 3D structure fluctuations in MD simulation trajectories

Krzysztof Mularski, Dawid Makalowski, [ ... ], Aleksandra Swiercz

Computational prediction of the pathogenic variants of arachidonate 5-lipoxygenase activating protein using Molecular Dynamics simulation

Mohamed E. Elnageeb, Imadeldin Elfaki, [ ... ], Elham M. Alhathli

Whole exome sequencing reveals pathogenic variants in CNGA3, CACNA1F, and RPGRIP1 in consanguineous Pakistani families with diverse retinal phenotypes

Jahangir Khan Tareen, Hamid Khan, [ ... ], Hong-Tao Li

Bioinformatics and modelling studies of FhuD, the periplasmic siderophore binding protein from the plant pathogen Erwinia amylovora

Sharda Bharti, Lavinia Carlini, Alfonso Esposito, Stefano Benini

Consensus structure prediction of A. thaliana’s MCTP4 structure using prediction tools and coarse grained simulations of transmembrane domain dynamics

Sujith Sritharan, Raphaelle Versini, [ ... ], Antoine Taly

Structural and functional impact of the p.R163C mutation in the conserved palindromic motif within the C-terminal domain of human αB-crystallin

Aref Baharvand, Zamara Mariam, [ ... ], Reza Yousefi

Association analysis of PAEP, KRT10, and BMP7 genes SNPs with reproductive traits in Kele pigs

Yong Zhao, Chunyuan Wang, [ ... ], Yiyu Zhang

Coarse-grained molecular dynamics investigation on the interaction between κ- and β-casein aggregates and curcumin

Jian Gao, Rong Dong, [ ... ], Ye-Wang Zhang

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