Hello there, I would like to do a MD of a protein-protein complex (both with their ligands) so I'm looking for some advise regarding the best force field for simulate my system. For more details, it consists on a ADP-ribosylase (which ligand is the NAD) and a small G protein (GDP binded), we want to see what is the role of a loop in the formation of the complex and on the ADP-ribosilation of the small G protein.
Does any one have a good idea of an appropiate force field for this kind of systems ? Do you think gromos 43A1 or ffgmx could be an option? Thanks a lot in advance! Paula -- !!!!! NEW email !!!!!! [EMAIL PROTECTED] ******* NEW ADDRESS ****** Paula GONZALEZ-RUBIO PhD Candidate DSIMB INTS, INSERM UMR-S726 6 rue Alexandre Cabanel 75015 Paris Tel : +33(1) 44 49 30 00 Fax : +33(1) 47 34 74 31 4th Floor. Room 401 Bis Web Site: http://www.dsimb.inserm.fr/<https://paris7.jussieu.fr/Redirect/www.dsimb.inserm.fr/>
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