Affiliation:
Max Planck Institute for Polymer Research, Mainz, Germany
Talk title:
Multiscale simulations augmented by data-driven methods
Scientific interests:
Dr. Bereau is an expert in development of machine learning methods, Markov state modelling, and application of these methods to drug-membrane interactions and peptide folding. These state-of-the-art methods are increasingly used in other fields, such as protein and membrane modelling.
See more here.
Affiliation:
Uppsala University, Sweden
Talk title:
The Matter Simulation (R)evolution
Scientific interests:
Prof. Lindh is an expert in high-accuracy quantum chemistry, related method development, and their applications to important areas of research such as energy and health.
See more here.
Affiliation:
University of Tübingen, Germany, and University of Eastern Finland, Kuopio
Talk title:
Virtual screening: (false) positive (or negative) results 2000-2017
Scientific interests:
Prof. Poso has expertise in drug design, in particular virtual drug discovery, which allows detection of highly potent compounds from a large database based on virtual high-throughput screening methods, which he also develops. Such computational approaches play an important role by reducing costs and time of drug-development procedure.
See more here.
Affiliation:
King's College London, The United Kingdom
Talk title:
Coarse graining and molecular kinetics from biased simulations
Scientific interests:
Dr. Rosta is an expert in enzyme catalysis as well as development of enhanced simulation techniques, in particular free-energy calculations and related method development.
See more here.