[gmx-users] g_sas => protein interface => HALF of ( A+B-AB) ?

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Aug 26 22:42:29 CEST 2010


>> the interface is now A + B - AB"
>> WHy not HALF of (A+B-AB)  ?
> You are right.

A + B - AB gives the Buried Surface Area, which is the amount of
surface that gets excluded from the solvent by complexation (and
consequently is twice the size of the interface).



Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
Groningen Institute for Biomolecular Research and Biotechnology /
University of Groningen
The Netherlands

More information about the gromacs.org_gmx-users mailing list