[Chimera-users] Electrostatic Potential

chemocev marker jirivitali at gmail.com
Wed Dec 20 10:16:20 PST 2017


Hi
I am just calculating the Electrostatic Potential, and I wanted to know
your opinion which force field is better for metallo proteins.And what is
criteria to choose and not to choose the pKA...
As I am doing the reaction at different pH and what I see in the PDB the
proteins are crystallized at different pH then the reaction conditions.
Structures are solved at low pH but the reactions are done at high pH.
best

Jiri
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