Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Elena Facco"'
Publikováno v:
PLoS Computational Biology, Vol 15, Iss 4, p e1006767 (2019)
It is well known that, in order to preserve its structure and function, a protein cannot change its sequence at random, but only by mutations occurring preferentially at specific locations. We here investigate quantitatively the amount of variability
Externí odkaz:
https://doaj.org/article/6d7d70e742734e51af10aaa23ef3e660
Data analysis in high-dimensional spaces aims at obtaining a synthetic description of a data set, revealing its main structure and its salient features. We here introduce an approach providing this description in the form of a topography of the data,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b1006c7d7b4dd9b84bfba0154f6389c
https://www.zora.uzh.ch/id/eprint/213381/
https://www.zora.uzh.ch/id/eprint/213381/
Publikováno v:
Journal of Chemical Theory and Computation. 14:1206-1215
We introduce an approach for computing the free energy and the probability density in high-dimensional spaces, such as those explored in molecular dynamics simulations of biomolecules. The approach exploits the presence of correlations between the co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4fef802288d8c4a56709e91ce1142f6a
https://doi.org/10.1021/acs.jctc.7b00916
https://doi.org/10.1021/acs.jctc.7b00916
Publikováno v:
Scientific Reports
Scientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)
Scientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)
Analyzing large volumes of high-dimensional data is an issue of fundamental importance in data science, molecular simulations and beyond. Several approaches work on the assumption that the important content of a dataset belongs to a manifold whose In
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3908efd2b767b04d3996b65b034c4f39
http://arxiv.org/abs/1803.06992
http://arxiv.org/abs/1803.06992