[gmx-users] pH

kamil at ibmb.uni.wroc.pl kamil at ibmb.uni.wroc.pl
Mon Mar 22 09:31:02 CET 2004

As Ilya wrote, the most important problem is the structure dependent
calculation of pH. You have to take into account that proteins behave like
buffers due to their aminoacid composition. This effect and papers
mentioned by Eric Jakobsson will be taken into account in the final
version of my algorithm. I've to only finad a good programmer.

Best Regards !!!


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