Mirren White


The pmx Webserver: a Powerful Tool for Free Energy Calculations

BioExcel supports the development of pmx, a tool for researchers utilising free energy calculations. Free energy calculations are extremely common in life sciences research. In molecular dynamics simulations, such as investigating how mutations affect protein function, these calculations provide insight into stability and affinity changes. One important branch of free […]

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Environment meets genetics: New lessons for Parkinson’s disease

top binarni opce FZ Jülich, a BioExcel partner, is using CPMD, a leading QM/MM software package, to understand more about how Parkinson’s disease develops. Parkinson’s disease (PD) is a devastating disorder, affecting a growing number of people worldwide, due to the overall aging of the human population. The disease is known for its […]

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HADDOCK shows how bacteria steal iron from the plants they infect

http://jaholtom.com/?binarit=simulatore-di-autopzion-binarie&f20=cc simulatore di autopzion binarie Researchers using the HADDOCK modelling software, a key part of the BioExcel community, have discovered how bacteria steal iron from plants, helping the bacteria cause infection. Iron is an essential element for life. Mammals, for example, use it to carry oxygen in red blood cells, plants need it to transport […]


pmx Webserver: A User Friendly Interface for Alchemistry

binära optioner mäklare sverige This paper describes the pmx webserver, part of the BioExcel community. The paper was published in February 2017 in the Journal of Chemical Information and Modelling. Abstract With the increase of available computational power and improvements in simulation algorithms, alchemical molecular dynamics based free energy calculations have developed into routine […]


Accelerated cryo-EM structure determination with parallelisation using GPUs in RELION-2

binära optioner strategi This paper was published in the journal eLife in November 2016. Abstract By reaching near-atomic resolution for a wide range of specimens, single-particle cryo-EM structure determination is transforming structural biology. However, the necessary calculations come at large computational costs, which has introduced a bottleneck that is currently limiting throughput and […]


The DisVis and PowerFit web servers: Explorative and Integrative Modeling of Biomolecular Complexes

http://winevault.ca/?perex=trading-game-online trading game online This paper was published in the Journal of Molecular Biology in February 2017. Both DISVIS and POWERFIT are key parts of the BioExcel community of services. Highlights of this paper include: Core-weighted local cross-correlation and edge-enhancing Laplace filter in PowerFit New occupancy analysis and statistics for interacting residues in DisVis Grid-based, […]