GROMACS 5.1.2 Official Release
GROMACS recently made its latest bug fix release, version 5.1.2! As part of BioExcel, GROMACS is continuing its transition to becoming a state-of-the-art C++11 library. Modularizing and simplifying the main molecular dynamics loop is a critical part of this, so that the core development team and third-party users of GROMACS libraries can re-use the infrastructure […]
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Workshop: In silico tools in drug design and target discovery
This is a one-day workshop organized from the Spanish Network of Supercomputation (RES) with the aims to illustrate the use of high performance computing in the development of new therapies, and to approach the field of computational science to the drug discovery world. It will be an exciting meeting that will let participants to learn […]
Read MoreWorkshop: Computer Simulation and Theory of Macromolecules, Hünfeld 2016
Place: Hünfeld, Germany Date: May 27-28, 2016 In the post-genomic era with its exponential growth of known protein structures and with an increasing amount of experimental data on biomolecular dynamics and function particularly in the single molecule field, the demand for computer simulation studies at the atomic level explodes. This informal and interdisciplinary meeting for […]
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