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Computational biology

Structure-based discovery of a novel Granzyme A (GZMA) inhibitor for autism spectrum disorder through integrative transcriptomics, virtual screening, and long-timescale molecular dynamics simulations

Metab Alharbi, Abdulrahman Alshammari, [ ... ], Talal Alshammari

Single-cell transcriptomics and machine learning characterize LTA4H-linked lipid metabolism and inflammatory signatures in the knee osteoarthritis IPFP/synovium compartment

Xin Chen, Shudong Li, [ ... ], Jifeng Zhao

Omicron SARS-CoV-2 shows NRP1-linked susceptibility in adipose-derived MSCs and alters primitive cord blood CD34⁺ HSPCs

Kanit Bhukhai, Nopmullee Tanhuad, [ ... ], Arunee Thitithanyanont

Integrated bioinformatics analysis identifies an immune-related gene signature associated with non-obstructive azoospermia

Yucheng Zhong, Songqing Ye, [ ... ], Xiaofu Qiu

Geospatial suitability of cacao in Amazonas (Peru): An ensemble predictive modeling approach (BIOMOD2) integrating multisource data, territorial management, and plant health

Jhon A. Zabaleta-Santisteban, Angel J. Medina-Medina, [ ... ], Elgar Barboza

Benchmarking ensemble and deep learning models for drought-responsive gene prioritisation in rice using multi-omics data

Kumanan N. Govaichelvan, Dharini Pathmanathan, Rabiatul Adawiah Zainal-Abidin, Arpah Abu

Intercellular GAS6-AXL signaling triggers podocyte cuproptosis in acute kidney injury upstream regulated by CEBPD

Jingmei Liang, Yuyun Hu, Bing Liao

A dual-functional antiviral and anticancer peptide to target intricate host-pathogen interacting proteins of human papillomavirus associated with head and neck cancer

Gayathri Ashok, Soumyadip Ghosh, [ ... ], Anand Anbarasu

3D CNN-CVAE and LSTM-guided de novo design of rotigotine derivatives targeting dopamine D1 and D3 receptors in restless legs syndrome

Sinan Eliaçık, Nouman Ali

A formation-response classifier for borehole deviation using conventional well log data

Naveen Kumar B, Aslam Abdullah Mohammed

Transcriptomic analysis of zebrafish (Danio rerio) liver exposed to sediments from the Loa River

Nataly Lobos-Parra, Natalia V. Leiva, [ ... ], Rodrigo Orrego

Identification of flavonoids from natural products against hyperlipidaemia through computational approaches

Nurnazira Hanis Mustaffar Kamal, Nurul Azira Ismail, Ernie Zuraida Ali

Identification of shared diagnostic biomarkers and immune-related mechanisms between sepsis and thoracic aortic aneurysm based on integrated bioinformatics and machine learning approaches

Chengqun She, Hao Deng, [ ... ], Juan Wu

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