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Aurora Drug Discovery Software
Aurora employs quantum mechanics, thermodynamics, and an advanced continuous water model for solvation effects to calculate ligand's binding affinities. This approach differs dramatically from scoring functions that are commonly used for binding affinity predictions. By including the entropy and aqueous electrostatic contributions in to the calculations directly, Aurora algorithms produce much more accurate and robust values of binding free energies.
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Aurora Drug Discovery Software Introduction
What is Aurora Drug Discovery Software?
Aurora employs quantum mechanics, thermodynamics, and an advanced continuous water model for solvation effects to calculate ligand's binding affinities. This approach differs dramatically from scoring functions that are commonly used for binding affinity predictions. By including the entropy and aqueous electrostatic contributions in to the calculations directly, Aurora algorithms produce much more accurate and robust values of binding free energies.
How to use Aurora Drug Discovery Software?
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Why Choose Aurora Drug Discovery Software?
Choosing this means using advanced science to get way more accurate binding affinity predictions. It’s perfect if you want robust, reliable results that go beyond typical scoring methods.
Aurora Drug Discovery Software Features
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Aurora Drug Discovery Software Tags
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