MOLECULAR NETWORKS GMBH COMPUTERCHEMIE

Projekt → Learning and modeling the molecular response of single cells to drug perturbations Advances in single-cell genomics (SCG) allow us to read out a cell’s molecular state with unprecedented detail, increasingly so a… Beitrag ansehen → Projekt → Photonic Quantum Technologies with Strain-Free Artificial Atoms Photons are an excellent platform to explore fundamental quantum properties without disturbance from the environment. They are al… Beitrag ansehen → Projekt → Design And Modeling of Oxide Catalysts by machine LEarning and atomistic Simulations The DAMOCLES project aims to apply data-driven modeling (i.e., molecular simulations combined with machine learning) to study and… Beitrag ansehen → Projekt → Positioning of an artificial centrosome in a dynamic actin network "The centrosome is one of the main microtubule-organizing centers in cells, spawning filaments that define the cell’s shape and p… Beitrag ansehen → Projekt → Explainable Artificial Intelligence in Drug Discovery: Bridging Predictive Power and Mechanistic Insight ABSTRACT Explainable artificial intelligence (XAI) is increasingly essential in drug discovery, where interpretability and trust… Beitrag ansehen → Projekt → Temperature-Dependent Reorganization of Conformational Dynamics and Interaction Networks Underlies Thermostability in PET-Degrading Enzymes Polyethylene terephthalate (PET) is one of the most widely used synthetic plastics and a major contributor to global plastic poll… Beitrag ansehen →