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Drug interactions

Concurrent TMS-EEG to characterise interhemispheric signal propagation over the motor and prefrontal regions: An independent replication of GABA_B receptor mechanisms

Jie Zhou, Yiting He, [ ... ], Jiqing He

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

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

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

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

Identification of flavonoids from natural products against hyperlipidaemia through computational approaches

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

Computational identification of natural CXCR4-binding candidates relevant to endometriosis and ovarian cancer progression

Sinan Karageçili, Deniz Inan, Nouman Ali

Investigating the anticancer potential of phytochemicals from the mangrove Rhizophora mucronata as inhibitors of lung cancer-associated proteins: Insights from multiscale computational and in silico analyses

Zena Abdul-Ameer Mahdi, Batool Shakir Abed AlmjalawI, [ ... ], Sarah Alwan Malik Al-Yasiri

Early life stress caused glucose homeostasis impairment and anxiety-like behavior along with oxidative stress in adolescent male rat offspring: Protective effect of saffron extract

Siavash Shirzadeh Barough, Behnam Saeidi, [ ... ], Homeira Zardooz

Network of interactions between the tumor necrosis factor superfamily members and small S100 proteins

Victoria A. Rastrygina, Evgenia I. Deryusheva, [ ... ], Sergei E. Permyakov

RA-PLA: Retrieval-augmented graph convolutional networks for protein-ligand binding affinity prediction

Karim Abbasi, Hossein Banadkuki, Reza Sepahvand, Shima Rashidi

Deterministic and stochastic interventions in reducing drug–drug interactions in inappropriate prescribing: A systematic review

Muhammad Fahmi Ahmad Zuber, Nur Aishah Che Roos, Ruzanna Mat Jusoh, Nurulhuda A Manaf

Mechanistic inhibition of herpes simplex virus-1 UL21 immune-evasion function by natural-product scaffolds: A multi-tier docking, dynamics, and energetic profiling approach

Muhammad Suleman, Imtiaz Ali, [ ... ], Hadi M. Yassine

Leveraging bioinformatics approaches for drug repositioning in space radiation protection

Thomas E. Diaz, Joseph A. Kerrigan Jr, Dawn E. Bowles, Yared H. Kidane

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