Lost in the Crowd? How Crowding Affects Drug-Protein Binding
Macromolecular crowding, such as in the interior of biological cells, profoundly influences how molecules interact; however, its effects on drug-target binding …
Simone Ponzetto new Klaus Tschira Guest Professor
HITS extends a very warm welcome to Simone Paolo Ponzetto, who has joined the institute as our 7th Klaus Tschira Guest …
Discontinuity and disorder: explaining the luminosity bump in evolved stars
Towards the end of their lives, low-mass stars undergo an abrupt dip in their brightness, also known as the luminosity bump. …
Special issue: Mapping the Molecular Universe by Multiscale High-Throughput Screening and Machine Learning
Chemical space contains an enormous number of possible molecules, far too many to systematically enumerate. As this immense scale makes exhaustive …
ERC Advanced Grant for SIMPLAIX-PI Fred Hamprecht
SIMPLAIX-PI Fred Hamprecht from the Interdisciplinary Center for Scientific Computing of Heidelberg University (IWR) has received an ERC Advanced Grant for …
SDA7 – Brownian Dynamics Simulations of Proteins: New features
Researchers from the Molecular and Cellular Modeling (MCM) group at HITS are developing the software “Simulation of Diffusional Association” (SDA) 7. SDA7 …
4th SIMPLAIX Workshop: A big Thank You!
A heartfelt thank you to all speakers and participants for helping make the 4th SIMPLAIX Workshop on “Machine Learning for Multiscale …
The molecular research “booster” evolves: SIMPLAIX collaboration starts the next phase
Computer simulations and Artificial Intelligence are the main pillars of the “SIMPLAIX” collaboration, initiated by the Heidelberg Institute for Theoretical Studies (…
Tilmann Gneiting: 2026 Wald Memorial Award and Lecture
HITS Group Leader Tilmann Gneiting to receive the 2026 Wald Memorial Award and deliver the Wald Lectures at the IMS Annual Meeting …
Registration now open: 4th SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling”
The 4th SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling” will take place in the Studio Villa Bosch in Heidelberg …
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