Long-ranged electrostatics analysis

Dear Chimera users! I am analysing several snapshots etracted from the full atomistic md simulation of protein-protein assosiation. I wounder to ask what are the Chiemra plugins might be useful to study long-rang electrostatic effect mediated initial recognition of both proteins in this system besides APBS caclucation which is more focused on short-ranged electrostatics. Thanks for help! Gleb

Hi Gleb, I’m not aware of any electrostatics features or plugins other than already mentioned (Coulombic, Poisson-Boltzmann). Also it is not clear exactly what kind of calculation you are looking for, but I guess we can see if any other users have ideas. Best, Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On May 24, 2016, at 9:54 AM, James Starlight <jmsstarlight@gmail.com> wrote:
Dear Chimera users!
I am analysing several snapshots etracted from the full atomistic md simulation of protein-protein assosiation. I wounder to ask what are the Chiemra plugins might be useful to study long-rang electrostatic effect mediated initial recognition of both proteins in this system besides APBS caclucation which is more focused on short-ranged electrostatics.
Thanks for help!
Gleb
participants (2)
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Elaine Meng
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James Starlight