May 10-11, 2022, Ramat-Gan, Israel
The workshop is organized in collaboration with the Data Science Institute at Bar Ilan University (http://dsi.biu.ac.il/)
Organizing Committee
- Hanoch Senderowitz (BIU, Ramat-Gan, Israel)
- Alexandre Varnek (UdS, Strasbourg, France)
Confirmed speakers
Alexandre Varnek (University of Strasbourg, Strasbourg, France)
Amiram Goldblum (Hebrew University, Jerusalem, Israel)
Dan Major (Bar-Ilan University, Ramat-Gan, Israel)
Yoram Louzoun (Bar-Ilan University, Ramat-Gan, Israel)
Dragos Horvath (University of Strasbourg, Strasbourg, France)
Igor Baskin (Technion, Israel)
Ilya Grinberg (Bar-Ilan University, Ramat-Gan, Israel)
Inbal Tuvi-Arad (Open University, Ra’anana, Israel)
Omer Kaspi (Bar-Ilan University, Ramat-Gan, Israel)
Gilles Marcou (University of Strasbourg, Strasbourg, France)
Barr Tivon (Weizmann Institute of Science)
Avi Yosipof (the College of Law & Business, Ramat Gan, Israel)
Hanoch Senderowitz (Bar-Ilan University, Ramat-Gan, Israel)
Program
The conference will take place at the Beck Auditorium of the Department of Chemistry (Building 211), Bar-Ilan University. Ramat-Gan, Israel.
Tuesday, May 10th
| 08:30-09:00 | Registration |
| 09:00-09:15 | Opening remarks : Alexandre Varnek, University of Strasbourg, Hanoch Senderowitz, Bar-Ilan University. |
| Session 1 – Chair : Hanoch Senderowitz (Bar-Ilan University) | |
| 09:15-09:40 | Alexandre Varnek, University of Strasbourg : De novo design of molecules and reactions using cartography enhanced AI-tools |
| 09:40-10:05 | Amiram Goldblum, Hebrew University : Travelling by Computational Chemistry vehicles in the pathways of Health and disease |
| 10:05-10:30 | Dan Major, Bar Ilan University : EnzyDock : New Docking Strategies for Enzymes |
| 10:30-10:55 | Yoram Louzoun, Bar-Ilan University : Dual neural networks to predict protein binding |
| 10:55-11:30 | coffee break |
| Session 2 – Chair : Amiram Goldblum (Hebrew University, Jerusalem, Israel) | |
| 11:30-11:55 | Dragos Horvath, CNRS / University of Strasbourg : In silico design of Tubulin activity modulators |
| 11:55-12:20 | Igor Baskin, Technion, Israel : Benchmarking machine learning methods for modeling physical properties of ionic liquids |
| 12:20-12:45 | Ilya Grinberg, Bar-Ilan University |
| 12:45-13:10 | Inbal Tuvi-Arad, Open University : Symmetry of Proteins and Chirality of their Building Blocks |
| 13:10-14:30 | Lunch break |
| Session 3 – Chair : Alexandre Varnek (University of Strasbourg) | |
| 14:30-14:55 | Gilles Marcou, University of Strasbourg : Kernel-GTM : overview and application |
| 14:55-15:20 | Barr Tivon, Weizmann Institute of Science : Covalent peptide docking with Rosetta |
| 15:20-15:45 | Omer Kaspi, BIU : Forensic Informatics : One ring to rule them all |
| 15:45-16:10 | Avi Yosipof, College of Law and Business : The Data Science Rainbow : Material-informatics, Crowdfunding, and COVID-19 |
| 16:10-16:35 | Hanoch Senderowitz, Bar-Ilan University : Computational studies on green pesticides |
the Beck Auditorium at BIU which can host up to 90 people and the workshops will take place in the computer room in building 207.
Wednesday, May 11th, computer room in building 207 Hands-on tutorials
| 9:00-12:00 | Gilles Marcou “Introduction to Chemography with Generative Topographic Mapping” |
| 14:00-17:00 | Dragos Horvath “Classical and covalent docking with S4MPLE” |
Conference venue
The conference will take place at the Beck Auditorium of the Department of Chemistry (Building 211), Bar-Ilan University. Ramat-Gan, Israel.
