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

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

I’m not sure why you would use radius for gyration as a measure of solubility. Radius of gyration roughly measures how “unfolded” (or more accurately, how “stretched out”) a polymer is. Although this may correspond to a higher solvent accessible surface area (which can itself be calculated and is useful in…

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