Lv4
790 积分 2024-09-03 加入
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects
8天前
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
8天前
已完结
Self-assembly of peptides: The acceleration by molecular dynamics simulations and machine learning
27天前
已完结
DMFF: An Open-Source Automatic Differentiable Platform for Molecular Force Field Development and Molecular Dynamics Simulation
29天前
已完结
Base-specific RNA force field improving the dynamics conformation of nucleotide
29天前
已完结
Alchemical Transformations and Beyond: Recent Advances and Real-World Applications of Free Energy Calculations in Drug Discovery
2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
3个月前
已完结
An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations
5个月前
已完结
ROSHAMBO: Open-Source Molecular Alignment and 3D Similarity Scoring
5个月前
已完结
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