FDA – detect and follow force in proteins
Force distribution analysis (FDA) is a method to detect and follow force and stress propagation in proteins, reminiscent of Finite Element …
KIMMDY – a hybrid approach for Molecular Dynamics (MD) simulation
The simulation scheme called KIMMDY (Kinetic Monte Carlo / Molecular Dynamics) enables covalent bond breakages in all-atom Molecular …
“SoftWipe” – open-source tool and benchmark to assess the quality of scientific software
Digital tools are essential in almost all scientific disciplines. Reliable, carefully developed software is particularly important when large amounts of research …
HITS researcher is Schiemann Fellow of the Max Planck Society
Ganna (Anya) Gryn’ova, head of the Computational Carbon Chemistry (CCC) group at HITS, has been elected as Schiemann Fellow of …
Evaluating probabilistic forecasts with scoringRules
Comparing predictive performance Forecasts are generally surrounded by uncertainty and being able to quantify this uncertainty is key to good decision …
Using Bioinformatics algorithms to predict the European Football Championship
Researchers from the Computational Molecular Evolution (CME) group at HITS have simulated the knock-out phase of the European Football Championship using …
Issue 2 | 2021
HITS Group Leader Anna Wienhard (Groups and Geometry) has been awarded an ERC Advanced Grant of the European Research Council (ERC) …
The MBM video contest winner is …
Have you ever tried to explain complex scientific findings just with words? We all know how important clear and memorable scientific …
On the front cover: Brownian Dynamics Simulations of Proteins in the Presence of Surfaces
Brownian dynamics simulations are well-suited to study processes governed by diffusion, such as the adsorption of protein molecules to a mica …
Welcome Chris!
A warm welcome to Christoph who has recently joined the MBM group. Here are a few words from Christoph about himself: …
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