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44 积分 2025-08-04 加入
Polyamine Binding to Acetylcholinesterase Revealed by Molecular Dynamics and Surface Plasmon Resonance
1天前
已完结
De novo protein design with a denoising diffusion network independent of pretrained structure prediction models
2天前
已完结
SCUBA-D: a freshly trained diffusion model generates high-quality protein structures
2天前
已完结
Dynamics-informed RFdiffusion for de novo design of binders against the KRAS conformational ensemble
5天前
已完结
De novo design of miniproteins targeting GPCRs
7天前
已完结
Machine learning-based virtual screening of reversible inhibitors of LSD1 and binding mechanisms study
26天前
已完结
Machine Learning-Based Drug Repositioning of Novel Janus Kinase 2 Inhibitors Utilizing Molecular Docking and Molecular Dynamic Simulation
29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
29天前
已完结
Serotonin transporter inhibits antitumor immunity through regulating the intratumoral serotonin axis
29天前
已完结
A formally exact method for high-throughput absolute binding-free-energy calculations
1个月前
已完结
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