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Allow for subtracting ligand-buffer heats #74

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bas-rustenburg opened this issue Feb 6, 2017 · 3 comments
Open

Allow for subtracting ligand-buffer heats #74

bas-rustenburg opened this issue Feb 6, 2017 · 3 comments

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@bas-rustenburg
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We need to add a feature to subtract buffer heats from the experiment to correctly run the MCMC script.

@jchodera
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jchodera commented Feb 6, 2017

Can you clarify?

@jchodera
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jchodera commented Feb 6, 2017

The Bayesian ITC scheme uses an explicit model for the buffer mechanical heats rather than fitting the difference heats.

@bas-rustenburg bas-rustenburg changed the title Allow for subtracting buffer heats Allow for subtracting ligand-buffer heats Feb 6, 2017
@bas-rustenburg
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Yes, that is one constant heat. However, it might be useful to add the possibility to subtract the heat from a ligand-buffer titration, where a dilution effect may occur.

@bas-rustenburg bas-rustenburg removed the bug label Feb 6, 2017
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