MCM Group
Molecular and Cellular Modeling

News

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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“The magic triangle” advances molecular research with machine learning and simulations

28. April 2022

The “SIMPLAIX” collaboration started with an inaugural symposium in Heidelberg.  Researchers from HITS, Heidelberg University, and Karlsruhe Institute of Technology (…

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Computer simulations and Artificial Intelligence – a “booster” for molecular research

7. April 2022

In the new “SIMPLAIX” collaboration, researchers from HITS, Heidelberg University, and Karlsruhe Institute of Technology (KIT) are addressing challenges in the …

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Registration open: Training Workshop on Tools for Molecular Simulation of Neuronal Signaling Cascades

1. February 2022

The HBP training workshop on Tools for Molecular Simulation of Neuronal Signaling Cascades will take place online on 7-10 March 2022 (free …

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Computing drug-target binding kinetics: three papers in the Journal of Chemical Theory and Computation

20. December 2021

How long does a drug molecule stay bound to its protein target? How quickly does it bind to and dissociate from …

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Searching for a way out of the brain fog caused by COVID-19

1. October 2021

HITS is a partner in the new EU-funded research program “BRAVE” that proposes tackling COVID-19 brain inflammation with computer-designed molecules. The …

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It’s in the DNA: sequence recognition by the linker histone

23. September 2021

Using single-pair FRET (Fluorescence/Förster Resonance Energy Transfer) spectroscopy and computational modeling, Madhura De, researcher in the Molecular and Cellular …

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