By Yuji Sugita, RIKEN, Theoretical Molecular Science, Japan Molecular dynamics (MD) simulations of nano- and biomolecules are one of the most important techniques in computational science. Protein conformational changes and protein-ligand bindings are simulated with all-atom MD simulations to elucidate molecular mechanisms underlying these biological processes. Conventionally, we can perform MD simulations of a […]
By Eva Wolfangel, Journalist, Speaker, Moderator Immersive Media like Virtual Reality and Augmented Reality offer great possibilities for science communication and science journalism. But nevertheless journalists and communicators often fail to use this new technologies creatively and in to take advantage of the possibilities they offer. In this talk we will discover some amazing […]
By Frank Noé, Freie Universität Berlin, Fachbereich Mathematik und Informatik AI, and specifically deep ML methods have a profound impact on industry and information technology. But since recently AI methods are also changing the way we do science. In this talk I will present some of our recent efforts to build machine learning methods that […]
By Ruth Nussinov, National Cancer Institute, Center for Cancer Research, USA Over the last few years our work has aimed to reveal oncogenic mechanisms of key oncogenic proteins in the Ras signaling network, including Ras, Raf, PI3K, PTEN, and more. We aim to understand their activation mechanisms, mutations, and signaling. During the last year […]
By Andreas Reuter Institutes can be created/established for various reasons. Universities (in Germany) do it routinely as a means of structuring their organization. Beauty parlors and private schools like to polish their image by trading under the name of „Institute of XYZ“. And then there are (a few) independent institutes that were established with a […]
By Carl Smith In late 2021, Australian science journalist Carl Smith was granted a rare and special privilege: he was allowed to leave his country. For most people living in Australia at the time, this was not possible - because it was one of the few nations that continued to aim for ‘covid zero’. This […]
By Julio Saez-Rodriguez, Heidelberg University Hospital, Institute of Computational Biomedicine Modern technologies allow us to profile in high detail biological and medical samples at fast decreasing costs. New technologies are opening new data modalities, including to measure at the single-cell level and with spatial resolution. Computational models, in particular those built with machine learning, are […]
By Antonis Rokas, Department of Biological Sciences, Vanderbild University, USA The use of genome-scale amounts of data and sophisticated statistical phylogenetic approaches have greatly aided the reconstruction of a broad sketch of the tree of life and resolved many of its branches. However, incongruence—the inference of conflicting evolutionary histories stemming from a multitude of analytical […]
By Eike Hermann Müller, Department of Mathematical Sciences, University of Bath, UK Including electrostatics in (kinetic) Monte Carlo simulations of interacting particles is challenging due to the long-range nature of the Coulomb potential. As a result, the computational complexity grows rapidly with N, the number of particles in the system. While the Fast Multipole Method […]
By Sarbani Basu, Department of Astronomy, Yale University, USA We normally rely on physics to interpret and understand astrophysical processes. However, with precise seismic data from the Sun and other stars, we can use astrophysics to inform us about the physical properties of stellar matter, and in some cases inform us even about fundamental physics. […]
