[gmx-users] 4th Advanced in silico Drug Design workshop in Olomouc

Thomas Evangelidis tevang3 at gmail.com
Wed Nov 7 09:38:46 CET 2018

Dear colleagues,

   we would like to invite you to the 4th Drug Design workshop which
will be held on 21-25 January 2019 in Olomouc (Czech Republic). It is
focused on practical applications of different chemoinformatic tools and
approaches for drug development. This might be interesting for bachelor,
master and PhD students to broaden their experience and sharpen skills.
Basic Python skills would be desirable for QSAR and deep learning
tutorials. However, a brief introduction to Python will be given at the

   During the workshop, students will learn pharmacophore modeling with
LigandScout, molecular docking with AutoDock Vina, QSAR modeling with
RDKit and OpenBabel, scikit-learn and SPCI, molecular dynamics with GROMACS
and deep learning. A
competition will be organized at the last day of the workshop where
participants will be able to apply acquired knowledge to solve real
chemoinformatic tasks and win prizes.


   Please feel free to share this information to those who can be
interested in participation in such event. Thank you.

With kind regards,
Thomas Evangelidis



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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