Preliminary Programme

Structure-based drug discovery targeting HIV reverse transcriptase and new insights into viral polyprotein structures
E. ARNOLD, Rutgers University, Piscataway, NJ, USA

Historical perspective
T.L. BLUNDELL, Cambridge University, UK

• Data integration & Pharmacology
• Compound design
A. BRADLEY, Exscientia, Oxford, UK

Biologics Developability
R. BUICK, Fusionantibodies, Belfast, IR

Fundamentals of Medicinal Chemistry for Oral Small Molecule Drug Discovery
M. CONGREVE, Isomorphic Lab, London UK

• Machine learning in Drug Discovery
• Intro to biologics
C. DEANE, Oxford University, UK

• High-throughput and automation
• Measuring binding affinity
F. von DELFT, Diamond Light Source, Oxford, UK

Project Moonshot
A. Von DELFT, Oxford University, Oxford, UK

In Silico SB optimization for accelerated drug discovery
E. DAVIS, Schroedinger, New York, NY, USA

Protein Conformational Landscapes
M. FISCHER St. JUde Children Hospital, Memphis, TN, USA

Rational design
S. J. FLEISHMAN, Weizmann Institute, IL

• Discovery of Drugs to Treat Chronic Myeloid Leukemia
• Where will SB be in 10 years?
S. JACOB, Novartis, CH

High throughput, high resolution workflows for structure based drug discovery using cryoEM
A. KOTECHA, Thermo Fisher Scientific

General crystallography
C. LESBURG, Odyssey Therapeutics, Cambridge, MA, USA

Machine Learning and Protein Structure Prediction: present and future
C. OUTERIAL RUBIERA, Oxford University, Oxford, UK

Docking, Free energy calculation and Molecular Dynamics
S. RINIKER, ETH, Zurich, CH

CryoEM in drug discovery
G. SCAPIN, NanoImaging Services, Woburn, MA, USA

3D structures, interactions, and implications
A. Y. SHEIKH, Abbvie, Chicago, IL, USA

Fragment-based design of MAT2 inhibitors
M. SHIMPL, Astrazeneca

• Probing and Engineering Regulatory Mechanisms in Signalling Proteins by Targeted Allosteric Modulators: A Dynamic View through the Lens of Multiscale Simulations, Network Biology and Machine Learning
• Conformational landscaping and mutational cartography of the SARS-COV-2 spike protein: probing mechanisms of antibody-induced neutralization and allosteric drug discovery
G. VERKHIVKER, Chapman University, Orange, CA, USA

Computing Drug Binding Kinetics
R. WADE, HITS and Heidelberg University, DE

• Atoms up Protein Engineering
• Cu’ havi ‘na bona vigna, havi pani, vinu e ligna – Startups
J. WILLIAMS, City of Hope, Duarte, CA, USA