Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Ferry Hooft"'
Publikováno v:
Journal of Physical Chemistry B, 126(48), 10034-10044. American Chemical Society
Flexibility is essential for many proteins to function, but can be difficult to characterize. Experiments lack resolution in space and time, while the time scales involved are prohibitively long for straightforward molecular dynamics simulations. In
Discovering Collective Variables of Molecular Transitions via Genetic Algorithms and Neural Networks
Publikováno v:
Journal of Chemical Theory and Computation, 17(4), 2294-2306. American Chemical Society
Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation
With the continual improvement of computing hardware and algorithms, simulations have become a powerful tool for understanding all sorts of (bio)molecular processes. To handle the large simulation data sets and to accelerate slow, activated transitio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a161c842f66211f9ebc11248cba86d8f
https://dare.uva.nl/personal/pure/en/publications/discovering-collective-variables-of-molecular-transitions-via-genetic-algorithms-and-neural-networks(e49565c0-ac42-4b97-a91e-b86589f6921f).html
https://dare.uva.nl/personal/pure/en/publications/discovering-collective-variables-of-molecular-transitions-via-genetic-algorithms-and-neural-networks(e49565c0-ac42-4b97-a91e-b86589f6921f).html