“Molecular Simulations: from Atoms to Macromolecules”
The Madeira Chemistry Research Center (CQM) will organize the conference “Molecular Simulations: from Atoms to Macromolecules”, to be presented by Visvaldas Kairys (PhD, Department of Bioinformatics, Institute of Biotechnology, Vilnius University, Lithuania) at the University of Madeira, Room 0.57, next 14th October 2016, 15h00.
Participants must make their registration here, until 13rd October 2016.
Visvaldas Kairys will start the presentation by providing a broad introduction on how the the view of atoms and on the Universe were developed through the history. He will introduce several computational methods, and some of the research made in his lab recently. A particular emphasis will be given on docking, Molecular Dynamics (MD), coarse-grained MD, and non-equilibrium MD methods, such as steered MD and metadynamics. These methods open new possibilities in understanding the microscopic behavior of large systems.