Mini Symposium
Computational methods in drug and materials design
Computational methods in drug and materials design
CCPBioSim Industry Talk by Merck
Event Date/s: Thursday 7 July 2022, 2pm (UK time)
Title: Championing the adoption of predictive sciences into the pharmaceutical discovery, process, and development space
Location: Online
Speaker: Ed Sherer, Merck
Registration: free
Title: Championing the adoption of predictive sciences into the pharmaceutical discovery, process, and development space
Location: Online
Speaker: Ed Sherer, Merck
Registration: free
CCPBioSim Industry Talk by Astex
Event Date/s: Thursday 30 June 2022, 14:00 - 15:30
Title: Do proteins ever strain drug-like ligands?
Location: Online
Speaker: John Liebeschuetz, Astex
Registration: free, deadline 28 June 2022
Title: Do proteins ever strain drug-like ligands?
Location: Online
Speaker: John Liebeschuetz, Astex
Registration: free, deadline 28 June 2022
Being #CompChemURG: Forging New Pathways
Held virtually with support from the Molecular Graphics and Modelling Society (MGMS).
Date and Time: June 24, 2022, 03:00 PM CET Confirmed speakers: Caroline Lynn Kamerlin, Uppsala University Anita Nivedha, Molecular Forecaster Chris Swain, Cambridge MedChem Consulting Andrew Leach, Uni. Manchester Idil Ismail, Uni. Warwick Colin Edge, Cresset Scott Midgely, Cresset |
12th EFMC-YSN MedChemBioOnline
Title: Covalent Chemical Probes and Drugs
Date: June 21 (17:00 to 19:15 CEST)
PROGRAMME:
Date: June 21 (17:00 to 19:15 CEST)
PROGRAMME:
- What Makes Drug Discovery Teams Successful?
Dr Mark Murcko (Dewpoint Therapeutics, United States) - Presentation by WuXi AppTec
Dr Andreas Schoop (WuXi AppTec, Germany) - Covalent Inhibitors Targeting the Protein Kinases’ Cysteinome
Dr Matthias Gehringer (University of Tübingen, Germany) - Round Table Discussion: "Designing Irreversible Inhibitors: Advantages and Challenges"
Dr Simona Cotesta (Novartis, Switzerland)
Dr Matthias Gehringer (University of Tübingen, Germany)
Prof. Nir London (Weizmann Institute of Science, Israel)
Prof. Rui Moreira (University of Lisbon, Portugal)
Jülich Supercomputing Center
"High-performance scientific computing in C++"
Dr. Sandipan Mohanty, JSC
June 7-10, 2022
09:00 AM - 04:30 PM CET
Abstract: https://go.fzj.de/2022-hpc-cplusplus
Registration: until 25 May 2022 via https://events.prace-ri.eu/event/1381/registrations/1026/
Dr. Sandipan Mohanty, JSC
June 7-10, 2022
09:00 AM - 04:30 PM CET
Abstract: https://go.fzj.de/2022-hpc-cplusplus
Registration: until 25 May 2022 via https://events.prace-ri.eu/event/1381/registrations/1026/
"High-performance computing with Python"
Dr. Jan Meinke, Dr. Olav Zimmermann, JSC
June 20-24, 2022
09:00 AM - 01:00 PM
Abstract: https://go.fzj.de/2022-hpc-python
Registration: until 31 May 2022 via https://events.prace-ri.eu/event/1379/registration/1024/
Dr. Jan Meinke, Dr. Olav Zimmermann, JSC
June 20-24, 2022
09:00 AM - 01:00 PM
Abstract: https://go.fzj.de/2022-hpc-python
Registration: until 31 May 2022 via https://events.prace-ri.eu/event/1379/registration/1024/
"Introduction to parallel programming with MPI and OpenMP"
Benedikt Steinbusch, Thomas Breuer, JSC
August 8-12, 2022
09:00 AM - 04:30 PM CET
Abstract: https://go.fzj.de/2022-mpi-intro-2
Registration: until 20 July 2022 via https://indico-jsc.fz-juelich.de/event/290/registration/register#/register
Benedikt Steinbusch, Thomas Breuer, JSC
August 8-12, 2022
09:00 AM - 04:30 PM CET
Abstract: https://go.fzj.de/2022-mpi-intro-2
Registration: until 20 July 2022 via https://indico-jsc.fz-juelich.de/event/290/registration/register#/register
Berlin Digital Science for Drug Discovery Meeting
"Everything You Wanted to Know About Alchemical Free Energy Calculations But Were Afraid to Ask"
Antonia Mey, University of Edinburgh
"Applications and Impact of Binding Free Energy Calculations in Drug Discovery"
Christina Schindler, Merck Healthcare KGaA
May 5, 2022
04:00-05:00 PM CET
Antonia Mey, University of Edinburgh
"Applications and Impact of Binding Free Energy Calculations in Drug Discovery"
Christina Schindler, Merck Healthcare KGaA
May 5, 2022
04:00-05:00 PM CET
Check out previously recorded sessions of the Berlin Digital Science for Drug Discovery seminar here.
Rapid Discovery of Potent Inhibitors of the Main Protease of SARS-CoV2
Prof. William Jorgensen
Yale University
May 4, 2022
15:05 -15:35 CET
Yale University
May 4, 2022
15:05 -15:35 CET
This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 956314.
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