Simulation of transmembrane proteins in lipid environments: not always an easy task

11. April 2023

Researchers in the Molecular and Cellular Modeling group (MCM) at HITS have recently released the first parameters of a micelle-forming lipid …

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EnzymeML: Surfing the research data wave

15. February 2023

In catalytic sciences we face a rapidly increasing volume and complexity of research data, which are a challenge for analysis and …

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Registration now open: SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling”

23. January 2023

The first SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling” will take place in the Studio Villa Bosch in Heidelberg …

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European Research: Biodiversity computing in the “hotspot” Crete

10. November 2022

Bioinformatician Alexandros Stamatakis (HITS Heidelberg and KIT Karlsruhe) will receive funding of 2.4 million euros from the European Commission for an ERA …

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New initiative to INDICATE cancer risks

19. October 2022

Scientists from the Heidelberg Institute for Theoretical Studies (HITS), the German Cancer Research Center (DKFZ), the Heidelberg University Hospital and Heidelberg …

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SABIO-RK understands EnzymeML

7. October 2022

In the last years, the SDBV group collaborated with partners from Germany, the U.S. and the UK on the development …

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Neural networks and computational chemistry

4. October 2022

On 26 September 2022, Olexandr Isayev (Carnegie Mellon University, USA) visited HITS and SIMPLAIX and gave a joint HITS/SIMPLAIX (hybrid) talk on “…

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Integrative data-intensive research for better drug design

21. September 2022

The 23rd EuroQSAR Symposium in Heidelberg, Germany will focus on “Integrative Data-Intensive Approaches to Drug Design” and be attended by about 300 …

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Multiscale simulations unveil molecular mechanisms that shape brain plasticity

1. August 2022

New publication on multiscale molecular simulations to investigate adenylyl cyclase-based signaling in the brain, together with colleagues collaborating in the Human …

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Integrative data-intensive approaches to drug design

28. July 2022

The 23rd EuroQSAR Symposium will take place in Heidelberg, chaired by HITS group leader Rebecca Wade. Deadline for abstract submission: 4 August 2022 …

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