[Chimera-users] New tutorial: CALCULATE AND VISUALIZE THE ELECTROSTATIC POTENTIAL OF A GLOBULAR PROTEIN

[Thomas Evangelidis]

Hi Chimera users,

I have written a tutorial about how to utilize Chimera's superior
capabilities in order to visualize the electrostatic potential of a buried
active site. In this case, the protein is BACE protease from D3R Challenge
2018. The binding pocket of this protein is negatively charged and the
average net charge of the ligands was +2, which both made accurate scoring
with free energy methods difficult. The same procedure can be applied to
any other globular protein.

https://github.com/tevang/tutorials/tree/master/Electrostatic_Potential_Globular_Protein

@Chimera's developers: can you put a link of this tutorial to your
dedicated Tutorials page https://www.cgl.ucsf.edu/chimera/tutorials.html
<https://www.cgl.ucsf.edu/chimera/tutorials.html>? I have much more scripts
and tutorials in my personal archive which I will gradually publish
whenever I find free time.

With best regards,
Thomas


-- 

======================================================================

Dr Thomas Evangelidis

Research Scientist

IOCB - Institute of Organic Chemistry and Biochemistry of the Czech Academy
of Sciences <https://www.uochb.cz/web/structure/31.html?lang=en>
Prague, Czech Republic
  &
CEITEC - Central European Institute of Technology <https://www.ceitec.eu/>
Brno, Czech Republic

email: tevang3 at gmail.com

website: https://sites.google.com/site/thomasevangelidishomepage/
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