A Berlin Seminar Series @ DigiDrug.NET

Past Events

19 October 2022, 4-5.30pm CET

No recording available

Programme

De Novo Design 2.0: Challenges and Opportunities
Nadine Schneider, Novartis
https://www.linkedin.com/in/nadine-schneider-a9930511b

Simulation and Machine Learning as Complementary Tools for Drug Design
Matteo Aldeghi, Google Research
https://www.matteoaldeghi.com/


5 May 2022, 4-5.30pm CET

Programme

Everything You Wanted to Know About Alchemical Free Energy Calculations But Were Afraid to Ask
Antonia Mey, University of Edinburgh
https://www.linkedin.com/in/antonia-mey-0b4b897a

Applications and Impact of Binding Free Energy Calculations in Drug Discovery
Christina Schindler, Merck Healthcare KGaA
https://www.linkedin.com/in/christina-schindler-049628114


17 February 2022, 4-5.30pm CET

Programme

An Introduction to Explainable Artificial Intelligence for Small Molecules
Floriane Montanari, Bayer
https://www.linkedin.com/in/floriane-montanari-3577091b

Deep Learning Methods for Chemical Reactivity
G√ľnter Klambauer, Linz University
https://www.jku.at/institut-fuer-machine-learning/ueber-uns/team/assist-prof-mag-dr-guenter-klambauer/


25 November 2021
Recording: (not available on this occasion)

Programme

The (R)evolution of Drug Discovery - From Intuition to (Data) Science
Nikolaus Stiefl, Novartis
https://www.novartis.com/careers/postdoc-program/postdoc-research-themes/chemistry-postdoc-mentors/nikolaus-stiefl-phd

Driving Lead Optimisation With BRADSHAW
Ian Wall, GSK
https://www.linkedin.com/in/ian-wall-1b497ba


9 September 2021, 4-5.30pm CEST
Recording: https://www.youtube.com/watch?v=rfsRdfcoODs

Programme

Single-sequence structure prediction in a post-AlphaFold2 world
Mohammed AlQuraishi, Columbia University
https://systemsbiology.columbia.edu/faculty/mohammed-alquraishi
https://moalquraishi.wordpress.com/

Challenges and Opportunities for Machine Learning in Drug Discovery
Pat Walters, Relay Therapeutics
https://relaytx.com/our-team/pat-walters-ph-d/
http://practicalcheminformatics.blogspot.com/