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Fogarty, Aoife Catherine
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Online (77)
Mediatypes
Articles (Online) (73)
OpenAccess-fulltext (4)
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1
Temperature dependence of coarse-grained potentials for liq..:
Farah, Karim
;
Fogarty, Aoife Catherine
;
Böhm, Michael Christian
.
Phys. Chem. Chem. Phys.. 13 (2011) 7 - p. 2894-2902 , 2011
Link:
https://doi.org/10.1039/..
?
2
espressopp/espressopp: v3.0.0:
Torsten Stuehn
;
Christoph Junghans
;
Nikita Tretyakov
...
https://github.com/espressopp/espressopp/tree/v3.0.0. , 2020
Link:
https://zenodo.org/recor..
?
3
espressopp/espressopp v2.0.2:
Olaf Lenz
;
Torsten Stuehn
;
Christoph Junghans
...
https://github.com/espressopp/espressopp/tree/v2.0.2. , 2019
Link:
https://zenodo.org/recor..
?
4
espressopp/espressopp: ESPResSo++ 2.0.1:
Olaf Lenz
;
Torsten Stuehn
;
Nikita Tretyakov
...
https://github.com/espressopp/espressopp/tree/v2.0.1. , 2019
Link:
https://zenodo.org/recor..
?
5
espressopp/espressopp: ESPResSo++ 2.0:
Olaf Lenz
;
Torsten Stuehn
;
Christoph Junghans
...
https://github.com/espressopp/espressopp/tree/v2.0. , 2018
Link:
https://zenodo.org/recor..
?
6
SARS-CoV-2 simulations go exascale to predict dramatic spik..:
Zimmerman, Maxwell I.
;
Porter, Justin R.
;
Ward, Michael D.
...
Nature Chemistry. 13 (2021) 7 - p. 651-659 , 2021
Link:
https://doi.org/10.1038/..
?
7
ESPResSo++ 2.0: Advanced methods for multiscale molecular s..:
Guzman, Horacio V.
;
Tretyakov, Nikita
;
Kobayashi, Hideki
...
Computer Physics Communications. 238 (2019) - p. 66-76 , 2019
Link:
https://doi.org/10.1016/..
?
8
Erratum: "Adaptive resolution simulation of a biomolecule a..:
Fogarty, Aoife C.
;
Potestio, Raffaello
;
Kremer, Kurt
The Journal of Chemical Physics. 146 (2017) 4 - p. , 2017
Link:
https://doi.org/10.1063/..
?
9
Coupled Valence-Bond State Molecular Dynamics Description o..:
Duboué-Dijon, Elise
;
Pluhařová, Eva
;
Domin, Dominik
...
The Journal of Physical Chemistry B. 121 (2017) 29 - p. 7027-7041 , 2017
Link:
https://doi.org/10.1021/..
?
10
Using force-based adaptive resolution simulations to calcul..:
Fiorentini, Raffaele
;
Kremer, Kurt
;
Potestio, Raffaello
.
The Journal of Chemical Physics. 146 (2017) 24 - p. , 2017
Link:
https://doi.org/10.1063/..
?
11
Dynamical Disorder in the DNA Hydration Shell:
Duboué-Dijon, Elise
;
Fogarty, Aoife C.
;
Hynes, James T.
.
Journal of the American Chemical Society. 138 (2016) 24 - p. 7610-7620 , 2016
Link:
https://doi.org/10.1021/..
?
12
Adaptive Resolution Simulations with Self-Adjusting High-Re..:
Kreis, Karsten
;
Potestio, Raffaello
;
Kremer, Kurt
.
Journal of Chemical Theory and Computation. 12 (2016) 8 - p. 4067-4081 , 2016
Link:
https://doi.org/10.1021/..
?
13
A multi-resolution model to capture both global fluctuation..:
Fogarty, Aoife C.
;
Potestio, Raffaello
;
Kremer, Kurt
Proteins: Structure, Function, and Bioinformatics. 84 (2016) 12 - p. 1902-1913 , 2016
Link:
https://doi.org/10.1002/..
?
14
Adaptive resolution simulation of a biomolecule and its hyd..:
Fogarty, Aoife C.
;
Potestio, Raffaello
;
Kremer, Kurt
The Journal of Chemical Physics. 142 (2015) 19 - p. , 2015
Link:
https://doi.org/10.1063/..
?
15
Reorientational Dynamics of Water Confined in Zeolites:
Fogarty, Aoife C.
;
Coudert, François‐Xavier
;
Boutin, Anne
.
ChemPhysChem. 15 (2014) 3 - p. 521-529 , 2014
Link:
https://doi.org/10.1002/..
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