3 molecular-dynamics-simulation PhD positions at Technical University of Denmark in Denmark

PhD scholarship in Theoretical Chemical Dynamics - DTU Chemistry

Technical University of Denmark | Denmark | about 1 hour ago

experiments, mapping charge and energy transfer in molecular (and mesoscopic) systems, behavior of molecules in strong fields, dynamics of open quantum systems, and more. This project offers an excellent

PhD position in AI-Driven De Novo Design of Carbohydrate-Active Enzymes - DTU Bioengineering

Technical University of Denmark | Denmark | 3 months ago

. In the project you should: Design and implement enzyme libraries using generative AI tools such as RFdiffusion2 or BoltzDesign. Perform molecular dynamics simulations to assess enzyme-substrate

PhD position in AI-Driven Design of Selective Inhibitors for Matrix Metalloproteinases (MMPs) - DTU Bioengineering

Technical University of Denmark | Denmark | 3 months ago

tools such as RFdiffusion2 or BoltzDesign. Perform molecular dynamics simulations and in silico screening to assess inhibitor-target interactions and predict selectivity. Clone, express, and purify top