Questions tagged [solubility]

Questions about solubility.

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6 votes
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Pharmaceutical solubility databases?

I am looking for databases for the solubility of pharmaceuticals (small drug molecules up to 1500 g/mol MW) in a variety of pure and mixed solvents. There is the Handbook of solubility data for ...
B. Kelly's user avatar
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9 votes
2 answers
598 views

How to simulate peptide solubility using molecular dynamics (GROMACS)?

What's the suggested best practice to simulate peptide solubility? I'm considering to use Gromacs Tutorial Lysozyme in Water as the model. Later, I'm considering to use Radius of Gyration as measure ...
littleworth's user avatar
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16 votes
1 answer
458 views

Are there any ab intio/DFT methods to simulate solubility?

When designing molecules or materials (as drug carriers) in drug design, one important properties is the system solubility. Are there any software that using ab intio/DFT methods can be used to ...
Camps's user avatar
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