JEUDI 25 avril - Ateliers
Séances du matin
JEUDI 25 avril - Séances du matin
Ateliers
08h15-09h00
Morning Coffee
Registration (check-in/badge pick-up)
09h00-10h00
Small Molecule Docking 
Protein-Ligand Interaction Analysis / Protein-Ligand Docking / Pharmacophore Modeling / High-throughput Docking / Template-Based Docking
10h00-10h30
Morning Break
10h30-12h00
Fragment-based Design: Scaffold Hopping, Fragment Growing and Bioisosteric Replacements 
Scaffold Replacement / Ligand Growing / Bioisosteric Transformations / Pharmacophore Modeling
12h00-13h00
Workshop Lunch
JEUDI 25 avril - Présentations scientifiques
Séances de l'après-midi
JEUDI 25 avril - Séances de l'après-midi
Présentations scientifiques
12h30-13h30
Registration (check-in/badge pick-up)
13h30-13h35
Opening Remarks: David Thompson, CCG
CHAIR: Bhaumik A. Pandya, Vigil Neuroscience
13h35-14h05
Beyond Ro5 Free Ligand Conformational and Dynamical Determinants of Passive Permeability: Computational and Experimental Synergies
Amber Y.S. Balazs, Director, US Analytical, Structural, and Chromatography (ASC) Team, Early Oncology Chemistry NMR Specialist, AstraZeneca
14h05-14h35
Discovery of Selective and Highly Potent RIPK1 Type III Inhibitors for the Treatment of Neurodegenerative Diseases
Lorena Rico, Senior Scientist, Discovery Chemistry, Merck
14h35-15h05
Discovery of MORF-627, an Orally Bioavailable, Selective avb6 Integrin Antagonist for the Treatment of Fibrotic Disease
Jim Dowling, Senior Director, Medicinal Chemistry, Morphic Therapeutic
15h05-15h35
Modeling Ternary Complexes with Molecular Glues: Making Sense of a Sticky Situation
Michael Drummond, Scientific Applications Manager, Chemical Computing Group
15h35-16h05
Afternoon Break
CHAIR: Tamara Hopkins, Kronos Bio
16h05-16h35
Design and Optimization of Brain Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors
Martin Himmelbauer, Principal Scientist, Medicinal Chemistry, Biogen
16h35-17h05
Selective Small Molecule Activation of PKG1α: Structure and Function
Essam Metwally, Principal Scientist, Merck Research Labs
17h05-17h35
Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9/cyclin T1 for MYC-dependent Cancers
Dave Freeman, Director, Hit Discovery Chemistry, Kronos Bio
17h35-17h40
Closing Remarks: David Thompson, CCG
17h40-18h30
Social Reception