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32 积分 2025-08-04 加入
Small-Molecule Inhibitors Directly Targeting KRAS as Anticancer Therapeutics
1天前
已完结
Exploring binding and allosteric energy landscapes for the KRAS interactions with effector proteins using Markov state modeling of conformational ensembles and allosteric network modeling
1天前
已完结
Polyamine Binding to Acetylcholinesterase Revealed by Molecular Dynamics and Surface Plasmon Resonance
2天前
已完结
De novo protein design with a denoising diffusion network independent of pretrained structure prediction models
3天前
已完结
SCUBA-D: a freshly trained diffusion model generates high-quality protein structures
3天前
已完结
Dynamics-informed RFdiffusion for de novo design of binders against the KRAS conformational ensemble
6天前
已完结
De novo design of miniproteins targeting GPCRs
8天前
已完结
Machine learning-based virtual screening of reversible inhibitors of LSD1 and binding mechanisms study
27天前
已完结
Machine Learning-Based Drug Repositioning of Novel Janus Kinase 2 Inhibitors Utilizing Molecular Docking and Molecular Dynamic Simulation
30天前
已完结
Machine learning–enabled virtual screening indicates the anti-tuberculosis activity of aldoxorubicin and quarfloxin with verification by molecular docking, molecular dynamics simulations, and biological evaluations
30天前
已完结
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