Milano Workshop: Physics-Based and AI methods in drug discovery

Event co-organized by

University of Milan (Departments of Pharmaceutical Sciences, Pharmacological and Biomolecular sciences, and Chemistry) and  Schrödinger (sponsor of the event).

Scientific Board: Prof. Giovanni Grazioso, Prof. Ivano Eberini, Prof. Laura Belvisi, Prof. Monica Civera, Dr. Magd Badaoui

Location: aula C03, Via L. Mangiagalli 25, 20133 Milano

JUNE 22

Physics-Based Methods in Drug Discovery: a general overview of the theoretical framework and its impact on modern R&D

9.00 – 9.30 Registration and coffee

9.30 – 9.40 Introduction 

9.40 – 10.20 Targeting a bacterial lectin: from fragment-based design to covalent glycomimetic ligand, Dr. Giulia Antonini

10.20 -11.00 Nature 2.0: rewriting the rules of peptide and proteins, Dr. Enrico M. A. Fassi

11.00 -11.20 Coffee break

11.20 -12.00 Molecular modeling tools for protein structures study, Dr. Omar Ben Mariem

12.00 -13.00 The Schrödinger ecosystem: a deep dive into how these methods are translated into actionable tools within our platform, Dr. Magd Badaoui

13.00 – 14.30 Lunch

14.30 – 17.30 Hands-on session by Dr. Magd Badaoui (Schrödinger):

• Maestro & PyMOL Essentials: Getting started with the interface and generating high-quality visualizations.
• Ligand Designer Workshop: Interactive session on real-time ideation and pocket-aware design.
• Accelerating Lead Optimization: From Structure to Insights – A comprehensive workflow for refining hits into candidates.

Location: aula Alfa and aula Beta, Via Celoria 18, 20133 Milano

JUNE 23

AI in drug discovery

8.30 – 9.00 Registration and coffeee

9.00 – 10.00 Introduction to Machine learning and AI methods, Dr. Marco Nicolini

10.00 – 10.45 Generative AI in Biotech: Hands-On De Novo Nanobody Design, part 1, Prof. Alessandro Contini

10.45 – 11.15 Coffee Break

11.15 – 12.00 Generative AI in Biotech: Hands-On De Novo Nanobody Design, part 2, Prof. Alessandro Contini

12.00 – 13.30 Introduction to QSAR and AI-Based Classification Methods in Drug Discovery, Dr. Angelica Mazzolari

13.30 – 14.30 Lunch

14.30 – 15.30 From Sequence to Structure: pros and cons of AlphaFold-Based Modeling, Dr. Omar Ben Mariem and Dr. Luca Palazzolo

15.30 – 18.00 Machine Learning with Schrödinger’s DeepAutoQSAR, theory and practice by Dr. Magd Badaoui (Schrödinger)

Events for registered PhD students and Research Fellows.

Scientific Board: Prof. Giovanni Grazioso, Prof. Alessandro Contini, Prof. Giorgio Valentini, Dr. Angelica Mazzolari, Dr. Omar Ben Mariem, Dr. Enrico Fassi, Dr. Marco Nicolini, and Dr. Magd Badaoui

Location: Aula C13, Via L. Mangiagalli 25, 20133 Milano