Conferences  >  Chemistry  >  Physical (Theoretical) Chemistry, Computational Chemistry  >  Germany

Schloss Dagstuhl - Leibniz-Zentrum für Informatik

Over the past few decades, machine learning (ML) has helped advance progress in a wide range of problems in computational biology and biochemistry, particularly towards understanding the structure and function of proteins. Similarly, in cheminformatics, ML is increasingly influencing pharmaceutical decision making and enabling novel drug design strategies. However, an area of great importance that requires further advances, likely involving significant innovations, is the understanding, prediction, and design of protein-protein and protein-ligand interactions. This Dagstuhl Seminar aims to connect the protein-ML and cheminformatics-ML communities and foster their communication with key experts in biology and chemistry. This seminar will allow us to discuss both theoretical and application-oriented ML topics in the context of protein-protein and protein-ligand interactions.

Molecular Biology,    Biochemistry and Medicinal Chemistry, Toxicology

Mathematisches Forschungsinstitut Oberwolfach (MFO, Oberwolfach Research Institute for Mathematics)

EMBL Heidelberg

This practical course teaches the basics of multicellular modelling to any researcher wishing to enter the field, particularly experimentalists with no prior experience of computational modelling. It is a “hands-on” course with 60% of the time devoted to students working on laptops performing exercises designed to give a practical familiarity with different types of computational modelling. The course focuses on the dynamics of multicellular systems- from embryos to organoids, covering both the molecular side (how gene regulatory networks perform pattern formation) and also the mechanical side in 2D and 3D (how the movements and activities of many cells together leads to tissue-level morphogenesis and organisation). A carefully-chosen variety of modelling tools will be introduced, which cover the core approaches of vertex models, finite element models (FEM), and agent-based models (ABM). Attendees will also work through the week in small groups on group projects, which will be presented on the last day to the whole class. Each day will end with a keynote lecture by a prominent researcher in the field, putting the topic of the day into context through an example of relevant biological research.

Julia Patricia Nohle;     Email: julia.nohle@embl.de