Lv52
1090 积分 2024-09-03 加入
De Novo Design of Multiple Microplastic-Binding Peptides with a Protein Language Model-Guided Generative Adversarial Network
14天前
已完结
Discovery of novel antimyeloma agents targeting TRIP13 by molecular modeling and bioassay
26天前
已完结
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects
4个月前
已完结
Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field
4个月前
已完结
Self-assembly of peptides: The acceleration by molecular dynamics simulations and machine learning
4个月前
已完结
DMFF: An Open-Source Automatic Differentiable Platform for Molecular Force Field Development and Molecular Dynamics Simulation
4个月前
已完结
Base-specific RNA force field improving the dynamics conformation of nucleotide
4个月前
已完结
Alchemical Transformations and Beyond: Recent Advances and Real-World Applications of Free Energy Calculations in Drug Discovery
6个月前
已完结
In Silico Enabled Discovery of KAI-11101, a Preclinical DLK Inhibitor for the Treatment of Neurodegenerative Disease and Neuronal Injury
7个月前
已完结
An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations
9个月前
已完结
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