33 million core hours for collaborative project

The Partnership for Advanced Computing in Europe (PRACE) has granted 33 million core hours at the Cineca High Performance Computing Center in Italy for a collaborative project between HITS, the Ruhr-Universität Bochum, and Sanofi (France). The project “Molecular Dynamics Simulations for Computing Kinetic Constants for Drug Discovery” will be performed within the framework of the…

Spindle pole body bridge on the front cover

HITS scientists Musa Özboyaci and Prof. Rebecca Wade (MCM group) have performed calculations that help to understand the process of cell division in yeast. In a multidisciplinary study conducted together with researchers at the Center for Molecular Biology of Heidelberg University (ZMBH) and at Frankfurt University, the team led by Prof. Elmar Schiebel (ZMBH) revealed…

How Human Cells Can Dissolve Damaging Protein Aggregates

Heidelberg researchers decode fundamental mechanism using in-vitro experiments Cellular repair systems can dissolve aggregated proteins and now Heidelberg researchers have successfully decoded the fundamental mechanism that is key to dissolving these protein aggregates in human cells. Their in-vitro experiments uncovered a multi-stage biochemical process in which protein molecules are dissolved from the aggregates. Researchers at…

TRAPP on the Frontpage

An article by HITS researcher Dr. Daria Kokh (MCM) has made it onto the frontpage of the Journal of Chemical Information and Modeling. TRAPP (A Tool for Analysis of Transient Binding Pockets in Proteins) is a new automated software platform for tracking, analysis, and visualization of binding pocket variations along a protein motion trajectory or…

Rebecca Wade associate editor for scientific journal

Rebecca Wade, leader of the MCM group, has been appointed as an associate editor for the journal PLOS Computational Biology. PLOS Computational Biology aims at publishing outstanding primary research articles on all aspects of computational biology applied to different and integrated biological scales, from molecules and cells to patient populations and ecosystems. With this appointment,…