On Mar 28, 2019, at 4:55 AM, Thomas Evangelidis <tevang3@gmail.com> wrote:

New script and tutorial: CREATE ALL ALTERNATIVE RECEPTOR PROTONATION STATE COMBINATIONS. Useful for those that do MD, docking, or any other structure-based drug design method.

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

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Dr Thomas Evangelidis

Research Scientist

IOCB - Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences

Prague, Czech Republic

  & 

CEITEC - Central European Institute of Technology
Brno, Czech Republic 

email: tevang3@gmail.com

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

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