MCM Group
Molecular and Cellular Modeling

News

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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HITSters will be part of new faculty at Heidelberg University

22. September 2021

Heidelberg University has founded the Faculty of Engineering Sciences to pool competences for innovative engineering approaches with international visibility. HITS researchers …

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On the front cover: Brownian Dynamics Simulations of Proteins in the Presence of Surfaces

9. June 2021

Brownian dynamics simulations are well-suited to study processes governed by diffusion, such as the adsorption of protein molecules to a mica …

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Putting computing power together against SARS-CoV-2

12. April 2021

European scientists identified potent inhibitors of the SARS-CoV-2 main protease, a promising target for antiviral compounds.

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MGMS Lecture: Rebecca Wade

9. February 2021

Rebecca Wade, leader of the Molecular Modeling (MCM) group, is the lecturer for the 2020 Molecular Graphics and Modelling Society (MGMS) Lecture …

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Registration open: Biological Diffusion and Brownian Dynamics Brainstorm 5 (BDBDB5)

26. January 2021

Biological Diffusion and Brownian Dynamics Brainstorm 5 (BDBDB5: https://bdbdb.h-its.org/) will take place in virtual format on 24-25 …

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