8ADD workshop (27.1.2025 – 31.1.2025) 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), prof. Alexandre Varnek (Uni Strasbourg), prof. Hanoch Senderowitz (Bar-Ilan University), assoc. prof. Johannes Kirchmair (UniVie, Vienna), assoc. prof. Marián Hajdúch (IMTM LF UPOL), prof. Alexander Dömling (IMTM LF UPOL), dr. Semen Yesylevskyy (IOCB Prague, IOP Kiev, KFC UPOL, Receptor.AI), dr. Federica Moraca (UNINA, Napoli), dr. Wim Dehaen (UCT Prague), dr. Martin Šícho (UCT Prague), dr. Martin Lepšík (IOCB Prague), , dr. Thomas Evangelidis (AIffinity), Miroslav Lžičař (DeepMedChem)
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)
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 CLOSED.
Attendance of the event is free of charge. The lecture room holds up to 30 seats.
Posters
Participants can present their research through an on-site poster session (for students, it is an Exam requirement). Registrations with poster presentations were prioritized.
Poster registration CLOSED.
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 Friday afternoon.
8ADD Book of Abstracts booklet is available here.
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 will be available on a dedicated YouTube 8ADD playlist.
Monday
- Welcome (Berka)
- Drug design intro (Berka)
- Academic Driven Drug Development: from molecules to Proof-of-concept clinical trials (Hajduch)
- Introduction to cheminformatics (Kirchmair)
- Chemography concept in chemical exploration (Varnek)
- Poster session – Book of Abstract
Tuesday
- Structure sources (Berka)
- QM in Drug Design (Lepšík)
- Artificial intelligence in drug discovery (Yesylevskyy)
- Pharmacophores (Langer)
- Pharmacophores tutorial (Langer) + LigandScout installation (licence code is given to onsite registrants on the workshop)
Wednesday
- Molecular Docking (Moraca) + Molecular Docking Tutorial (Moraca) + Docking_tutorial ZIP file (Moraca)
- Molecular dynamics Introduction (Yesylevskyy) +
- Molecular dynamics Tutorial (Ivanova) + MD tutorial ZIP file (Ivanova)
- Combating Cystic Fibrosis – computational studies on CTFR (Senderowitz)
- EasyDock (Minibaeva + Polishchuk) + Easydock tutorial ZIP file (Polishchuk)
Thursday
- QSAR (Dehaen) + QSAR tutorial (Dehaen)
- De novo design (Šícho) + tutorial (Šícho + Polishchuk)
- CReM tutorial (Polishchuk)
- Multi-instance learning (Polishchuk)
- Chemical space virtualization (Šícho)
Friday
- No one left behind: Innovative drug discovery tools (Dömling)
- Alphafoldology (Berka)
- CACHE (Polishchuk)
- AIMNet2: Foundation neural network potential for molecules, reactions, and CADD applications (Isaev)
- Drug Design using NMR (Evangelidis)
- SPHERE (Lžičař)
Other
Materials from previous workshops are available at
List of Registered On-Site Participants
Once you know you cannot arrive, please contact us at karel.berka@upol.cz so we can change you for online registration.
- M. Isabel Agea (MSD CZ)
- Carlo Apuzzo (U Federico II of Naples)
- Mária Bajnoková (Charles U Hradec Králové)
- Tomáš Basl (UCT Prague)
- Semanur Bulut (Gebze Tech U)
- Stefano Cimmino (U Federico II of Naples)
- Gizem Nur Duran (Gebze Tech U)
- Riccardo Fusco (Palacky U Olomouc)
- Jozef Fülöp (UCT Prague)
- Gorkha Raj Giri (Tribhuvan U)
- Alladi Chaharanraj Goud (Palacky U Olomouc)
- Alessandra Guarracino (U Federico II of Naples)
- Miloš Halda (IOCB Prague)
- Sami Ahmed Mohammed Ali Hamdoun (Monash U Malaysia)
- Aleksandra Ivanova (Palacky U Olomouc)
- Parnia Jabbari (CNR Naples)
- Khem Raj Joshi (Pokhara U)
- Jan Kachnowicz (U Wrocław)
- Filip Kapral (UCT Prague)
- Lukáš Kerti (Comenius U Bratislava)
- Nguyen Tan Khanh (AIfinity)
- Petro Khoroshyy (IOCB Prague)
- Elizabeth Kolářová (Palacký U Olomouc)
- Anastasiia Krokhina (U Strasbourg)
- Tereza Kubátová (U Vienna)
- Rajamanikkam Kamaraj (Charles U Hradec Králové)
- Dominik Martinát (Palacky U Olomouc)
- Natalia Mikłuszka (U Wrocław)
- Andrea Nedělníková (Palacky U Olomouc)
- Modupe Omoniyi (U Vermont)
- Jan Salomon (Palacky U Olomouc)
- Elina Shaniiazova (Constructor U Bremen)
- Ekaterina Sosnina (independent)
- Sergey Sosnin (U Vienna)
- Dinesh Kumar Sriramulu (Palacky U Olomouc)
- Vít Škrhák (Charles U Prague)
- Oliver Vaverka (G Hejčín Olomouc)
- Oriana Vitale (U Federico II of Naples)
- Mariusz Zapadka (Collegium Medicum Rydygiera w Bydgoszczy)
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/
Long Story Short Hostel – http://www.longstoryshort.cz/
Hotel Arigone – http://www.arigone.cz/en/
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
