Zobrazeno 1 - 10
of 365
pro vyhledávání: '"Peter, Christine"'
Publikováno v:
J. Chem. Phys. 158, 144109 (2023)
We present an unsupervised data processing workflow that is specifically designed to obtain a fast conformational clustering of long molecular dynamics simulation trajectories. In this approach we combine two dimensionality reduction algorithms (cc\_
Externí odkaz:
http://arxiv.org/abs/2301.04492
Autor:
Gkeka, Paraskevi, Stoltz, Gabriel, Farimani, Amir Barati, Belkacemi, Zineb, Ceriotti, Michele, Chodera, John, Dinner, Aaron R., Ferguson, Andrew, Maillet, Jean-Bernard, Minoux, Hervé, Peter, Christine, Pietrucci, Fabio, Silveira, Ana, Tkatchenko, Alexandre, Trstanova, Zofia, Wiewiora, Rafal, Leliévre, Tony
Machine learning encompasses a set of tools and algorithms which are now becoming popular in almost all scientific and technological fields. This is true for molecular dynamics as well, where machine learning offers promises of extracting valuable in
Externí odkaz:
http://arxiv.org/abs/2004.06950
Publikováno v:
In Structure 5 October 2023 31(10):1259-1274
We show here that molecular resolution is inherently hybrid in terms of relative separation: If molecules are close to each other, they must be characterized by a fine-grained (geometrically detailed) model, yet if molecules are far from each other,
Externí odkaz:
http://arxiv.org/abs/1903.04755
Publikováno v:
Phys. Rev. Research 1, 023034 (2019)
Recently, we introduced Relative Resolution as a hybrid formalism for fluid mixtures [1]. The essence of this approach is that it switches molecular resolution in terms or relative separation: While nearest neighbors are characterized by a detailed f
Externí odkaz:
http://arxiv.org/abs/1809.06241
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Publikováno v:
Advances in Polymer Science 260, 237 (2014)
This chapter summarizes several approaches combining theory, simulation and experiment that aim for a better understanding of phenomena in lipid bilayers and membrane protein systems, covering topics such as lipid rafts, membrane mediated interaction
Externí odkaz:
http://arxiv.org/abs/1412.4928
Autor:
Peter, Christine.
Diss. no. 15160 nat. sc. SFIT Zurich.
Im Buch.: Aachen : Shaker. Literaturverz.
Im Buch.: Aachen : Shaker. Literaturverz.
Externí odkaz:
http://e-collection.ethbib.ethz.ch/show?type=diss&nr=15160
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2018 Oct 01. 115(40), 9992-9997.
Externí odkaz:
https://www.jstor.org/stable/26531376