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12 积分 2025-08-04 加入
Terminal-Flip Monte Carlo: Accelerating the Convergence of Molecular Dynamics and Alchemical Free Energy Calculations
11天前
已完结
Development of Novel Estradiol-Indole Hybrids Targeting SERT and ERβ as Potential Antidepressants
15天前
已完结
Kinetic and Thermodynamic Assessment of Binding of Serotonin Transporter Inhibitors
15天前
已完结
Small-Molecule Inhibitors Directly Targeting KRAS as Anticancer Therapeutics
29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
29天前
已完结
Polyamine Binding to Acetylcholinesterase Revealed by Molecular Dynamics and Surface Plasmon Resonance
1个月前
已完结
De novo protein design with a denoising diffusion network independent of pretrained structure prediction models
1个月前
已完结
SCUBA-D: a freshly trained diffusion model generates high-quality protein structures
1个月前
已完结
Dynamics-informed RFdiffusion for de novo design of binders against the KRAS conformational ensemble
1个月前
已完结
De novo design of miniproteins targeting GPCRs
1个月前
已完结
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