7ADD workshop (29.1.2024 – 1.2.2024) is focused on using in silico tools and approaches in drug design. We cover both structure-based drug design (molecular docking, molecular dynamics, structural bioinformatics tools) and ligand-based drug design (QSAR, pharmacophores, deep learning) with lectures and on-hand tutorials.
Invited Lecturers
prof. Thierry Langer (UniVie, Vienna), assoc. prof. Johannes Kirchmair (UniVie, Vienna), dr. Alžběta Tuerková (CelerisTx, Graz), dr. Wim Dehaen (UCT Prague), dr. Semen Yesylevskyy (IOCB Prague, IOP Kiev, KFC UPOL, Receptor.AI), dr. Martin Lepšík (IOCB Prague), dr. Federica Moraca (UNINA, Napoli), dr. Paulyna Magana (EMBL-EBI), dr. Genevieve Evans (EMBL-EBI)
Local Organizers
doc. Karel Berka (KFC UPOL), dr. Pavel Polishchuk (IMTM UPOL), Guzel Minibaeva (IMTM UPOL), Aleksandra Ivanova (IMTM UPOL), dr. Václav Bazgier (KFC UPOL), Kateřina Storchmannová (KFC UPOL), Dominik Martinát (KFC UPOL), Anna Špačková (UPOL), Nina Kadášová (KFC UPOL)
Registration
The meeting will be in a hybrid format. Lectures and tutorial files will be available online, but the on-hand tutorials will be only on-site.
Registration is now closed.
Attendance of the event is free of charge. The lecture room holds up to 30 seats.
Posters
Participants can present their own research through an on-site poster session (for students, it is an Exam requirement). Registrations with poster presentations were prioritized.
Venue
| Palacky University Olomouc (UPOL)
Faculty of Science tř. 17. listopadu 12, Olomouc 77900, Czech Republic room 3.002 |
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Program
The meeting starts on Monday at noon and ends on Thursday evening. Friday ligand selection challenge has been canceled.
A detailed final program is available here:
Course Materials
The language of the event is English. All course material will be available on this webpage. Videos are available on a dedicated YouTube 7ADD playlist:
Monday
- Berka – Welcome
- Berka – Drug design intro
- Evans, Magana – PDBe, PDBe-KB
- Evans, Magana – PDBe, PDBe-KB ligand view tutorial + Github with the CoLab / Jupyter Notebooks & document-guide tutorial is here: https://github.com/glevans/7AD
D-workshop-2024 + Feedback https://www.menti.com/alcy47yp5qtu - Novotný – Binding site identification: The Pocket Art
- Tuerkova – Insights from a Biotech Startup: How Computational Chemists Shape the Design of Proximity-Inducing Compounds
Tuesday
- Polishchuk – Virtual Screening
- Lepsik – QM in drug design
- Yesylevskyy – Artificial intelligence in drug discovery
- Kirchmair – Tackling assay interference associated with small molecules
- Dehaen – QSAR
- Dehaen – QSAR tutorial files
Wednesday
- Berka – Alphafoldology
- Moraca – Molecular Drug Design Lecture
- Moraca – Molecular Docking Lecture
- Moraca – Molecular Docking Tutorial + pdb files
- Ivanova – Molecular dynamics Tutorial + MD tutorial files
Thursday
- Polishchuk – de novo design
- Polishchuk – Chemicaly Reasonable Mutations + CReM tutorial
- Polishchuk – CACHE challenge
Other
Materials from previous workshops are available at
https://kfc.upol.cz/6add/, or
https://old.fch.upol.cz/en/research/conferences-workshops/5add/, or
https://old.fch.upol.cz/en/research/conferences-workshops/4add/, or
at our YouTube channel https://www.youtube.com/playlist?list=PLRGiGr8c-LlKaWGyMjEnnLV_iM9IvdxKU.
List of Registered Participants
Once you know that you cannot arrive, please tell us at karel.berka@upol.cz, so we can change you for online registration instead.
- Adam Tywoniak – University of Chemistry and Technology, Prague, CZ
- Andriy Lubskyy – Palacky University Olomouc, CZ
- Anna Špačková – Palacky University Olomouc, CZ
- Ariadna Llop Peiro – University of Rovira i Virgili, IT
- Asma Haffouz – University of Sfax, TN
- Atilio Reyes Romero – Palacky University Olomouc, CZ
- Daniel Lee Číp – Palacky University Olomouc, CZ
- Darina Barkhatova – Institute of Science and Technology Austria, AT
- Dominik Martinát – Palacky University Olomouc, CZ
- Embolo Enyuegue Elisee Libert – Institute of Medical Research and Medicinal Plant Studies, CM
- Ermin Schadich – Palacky University Olomouc, CZ
- Eugen Hruška – Charles Universitz, CZ
- Federica Moraca – University of Naples Federico II, IT
- Jan Mičan – Masaryk University, CZ
- Jindřich Lněnička – Palacky University Olomouc, CZ
- Jiří Žák – IOCB Prague, CZ
- Jozef Fülöp – University of Chemistry and Technology, Prague, CZ
- Kaoud Salama – Palacky University Olomouc, CZ
- Karoll Ferrer – Palacky University Olomouc, CZ
- Kusuma sai Davuluri – Palacky University Olomouc, CZ
- Manikandan Mithun – Institute of Physics of the Czech Academy of Sciences, CZ
- Maryna Krautsova – Palacky University Olomouc, CZ
- Michał Sobieraj – Adam Mickiewicz University in Poznań, PL
- Mithun Manikandan – Institute of Physics AS CR, CZ
- Nina Kadášová – Palacky University Olomouc, CZ
- Tereza Kubátová – University of Vienna, AT
- Yevgen Yurenko – IOCB Prague, CZ
Cost and Accommodation
There is no registration fee, also coffee breaks and partially workshop dinner is covered by our sponsors.
Accommodation is not provided by the organizers, but here are several places for consideration depending on your budget:
Accommodation and Dining Services of the Palacky University – https://skm.upol.cz/en/ – ~100-1000 CZK/night
Long Story Short Hostel – http://www.longstoryshort.cz/ – ~500-2000 CZK/night
Hotel Arigone – http://www.arigone.cz/en/ – ~2 500 CZK/night
and, of course, there is plenty of AirBnB places in “UNESCO jewel” city of Olomouc – https://www.airbnb.cz/s/Olomouc–%C4%8Cesk%C3%A1-republika
