Forschungsimpuls – CytoTransport
In-silico Modeling and New Methods Development
In this research field, in-silico models of biological components (transport proteins, lipids, lignins) are generated. In addition, new methods such as molecular mechanical force fields or algorithms for machine learning to explore the conformational space of small molecules and to predict chemical similarities using 3D-based atomic and molecular features are being further developed.
The researchers are building on the existing structures of the "Molecular Modeling Center" founded in 2023, in which the Institute for Visual Computing (IVC) is involved alongside the research institutes TREE and IFGA. In this way, the broad expertise of H-BRS in the development of methods, visualization and the application of computer-aided processes for deciphering material science and biochemical issues will be made available across disciplines in a synergy-oriented manner.
