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Protein interactions

Virtual screening and molecular dynamics simulation study of ATP-competitive inhibitors targeting mTOR protein

Mei-Yu Jin, Hao Yu, [ ... ], Hui Liang

Mechanistic insights into Alpha-Synuclein binding to P2RX7: A molecular dynamic and docking study

Mukesh Kumar, Kanchan Singh, [ ... ], Mohini Saini

In silico studies provide new structural insights into trans-dimerization of β₁ and β₂ subunits of the Na⁺, K⁺-ATPase

Gema Ramírez-Salinas, Liora Shoshani, [ ... ], Marlet Martínez-Archundia

Exploring the antimicrobial and antibiofilm potency of four essential oils against selected human pathogens using in vitro and in silico approaches

Kamal A. Qureshi, Adil Parvez, [ ... ], Osamah Al Rugaie

Methylome and transcriptome analyses reveal HLA-DMB’s contribution to periodontitis development

Bo Zhao, Ronghua Li

Molecular simulation-based investigation of thiazole derivatives as potential LasR inhibitors of Pseudomonas aeruginosa

Snigdha Bhardwaj, Kandasamy Nagarajan, [ ... ], Mohd Adnan Kausar

Edge-enhanced interaction graph network for protein-ligand binding affinity prediction

Dinghai Yang, Linai Kuang, An Hu

Kernel composition in sorghum landraces revealed via analyses of genotype-by-environment interactions

Chalachew Endalamaw, Dagmawit Tsegaye, [ ... ], Maryke Labuschagne

The interaction of Orthoflavivirus nonstructural proteins 3 and 5 with human fatty acid synthase

Suthatta Sornprasert, Wannapa Sornjai, Duncan R. Smith

In silico identification of novel ligands targeting stress-related human FKBP5 protein in mental disorders

Ovinuchi Ejiohuo, Donald Bajia, Joanna Pawlak, Aleksandra Szczepankiewicz

Analysis of cellular senescence-related genes in calcified aortic valve disease and the potential therapeutic role of β-Carotene

Yijing Tao, Chengjie Gao, [ ... ], Qianwen Yao

In Vitro and In Silico Antidiabetic Efficacy of Solanum lasiocarpum Dunal Fruit Extract

Jing Zhao, Ahmed Abdulkareem Najm, [ ... ], Shazrul Fazry

Trypanosomes lack a canonical EJC but possess an UPF1 dependent NMD-like pathway

Bernardo Papini Gabiatti, Eden Ribeiro Freire, [ ... ], Martin Zoltner

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