[gmx-users] Hydrophobic and hydrophilic SASA for a particular portion of a protein

RAHUL SURESH drrahulsuresh at gmail.com
Wed Dec 13 17:26:46 CET 2017

Hi Sudip

I am not sure if you can do that for the entire trajectory but for a pdb
structure at particular ns you can calculate the hydrophobicity of
particular part of protein using Discovery studio.(You have to adopt some
backbench tricks)

Thank you

On Wed, Dec 13, 2017 at 9:52 PM, Sudip Das <das.sudip37 at gmail.com> wrote:

> Dear All,
> Is there any tool available that can calculate hydrophobic and hydrophilic
> (solvent accessible) surface areas *for a particular portion (not the
> whole)* of a protein?
> Thanks in advance!
> Best wishes,
> Sudip Das
> PhD Student
> C/o. Prof. S. Balasubramanian
> Molecular Simulations Lab
> Chemistry and Physics of Materials Unit (CPMU)
> Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR)
> Bangalore, India
>> --
> Gromacs Users mailing list
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.

*Rahul Suresh*
*Research Scholar*
*Bharathiar University*

More information about the gromacs.org_gmx-users mailing list