The workshop is organized in collaboration with the Data Science Institute at Bar Ilan University (http://dsi.biu.ac.il/)
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)
The conference will take place at the Beck Auditorium of the Department of Chemistry (Building 211), Bar-Ilan University. Ramat-Gan, Israel.
08:30-09:00 | Registration |
09:00-09:15 | Opening remarks : Alexandre Varnek, University of Strasbourg, 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 |
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 |
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.
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” |
The conference will take place at the Beck Auditorium of the Department of Chemistry (Building 211), Bar-Ilan University. Ramat-Gan, Israel.