Umbrella sampling

The calculation of free‐energy differences is one of the main challenges in computational biology and biochemistry. Umbrella sampling, biased molecular dynamics (MD), is one of the methods that provide free energy along a reaction coordinate. Here, the method is derived in a historic overview and is...

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Bibliographic Details
Published in:Wiley interdisciplinary reviews. Computational molecular science 2011-11, Vol.1 (6), p.932-942
Main Author: Kastner, Johannes
Format: Article
Language:English
Subjects:
High temperature
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