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Accelerating sampling in GROMACS with the AWH method

Overview Simulation of conformational transitions in bio-molecules is often problematic because transitions occur over timescales that are longer than what can be simulated. If one has a good reaction coordinate, transitions can be accelerated by up to several orders of magnitude by applying a biasing potential. In this webinar we will show how the Accelerated […]


Webinar: Enhanced molecular simulations with PLUMED (2019-09-12)

BioExcel’s webinar series continue with a presentation by Gareth Tribello Register Abstract PLUMED is a plugin that can be used in tandem with a number of different molecular dynamics codes. The original paper on PLUMED was published 10 years ago and the code has had a success that we could not possibly have envisioned when […]


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