Binding curve simulation and experimental data fitting for multi component protein-ligand systems
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Updated
Nov 16, 2024 - Python
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protein-ligand-binding
Here are 4 public repositories matching this topic...
NeuralMD for protein-ligand binding simulation
binding molecular-dynamics protein molecular-dynamics-simulation md ligand binding-affinity protein-ligand-binding
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Nov 27, 2024 - Python
Mitigating Activity Cliff-induced Discrepancies in Deep Learning of Compound-Protein Interaction
virtual-screening graph-neural-network compound-protein-interaction protein-ligand-binding activity-cliff
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Jun 28, 2024 - Python
Visualizing the Equilibrium and Kinetics of Protein-Ligand Binding and Competitive Binding
visualization kinetics ki equilibrium kd high-throughput-screening ic50 protein-ligand-binding binding-curve competitive-binding ligand-binding-assay
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Updated
Apr 22, 2024 - Python
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