E-LIB Suche - Ergebnisse für: Fogarty, Aoife C.

1

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/..

2

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/..

3

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/..

4

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/..

5

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/..

6

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/..

7

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/..

8

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/..

9

Water Dynamics in Protein Hydration Shells: The Molecular O..:

Fogarty, Aoife C. ; Laage, Damien
The Journal of Physical Chemistry B. 118 (2014) 28 - p. 7715-7729 , 2014

Link: https://doi.org/10.1021/..

10

Temperature Dependence of Hydrophobic Hydration Dynamics: F..:

Duboué-Dijon, Elise ; Fogarty, Aoife C. ; Laage, Damien
The Journal of Physical Chemistry B. 118 (2014) 6 - p. 1574-1583 , 2014

Link: https://doi.org/10.1021/..

11

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/..

12

Origins of the non-exponential reorientation dynamics of na..:

Fogarty, Aoife C. ; Duboué-Dijon, Elise ; Laage, Damien.
The Journal of Chemical Physics. 141 (2014) 18 - p. , 2014

Link: https://doi.org/10.1063/..

13

Biomolecular hydration dynamics: a jump model perspective:

Fogarty, Aoife C. ; Duboué-Dijon, Elise ; Sterpone, Fabio..
Chemical Society Reviews. 42 (2013) 13 - p. 5672 , 2013

Link: https://doi.org/10.1039/..

14

Extraction of lifetime distributions from fluorescence deca..:

Fogarty, Aoife C. ; Jones, Anita C. ; Camp, Philip J.
Physical Chemistry Chemical Physics. 13 (2011) 9 - p. 3819 , 2011

Link: https://doi.org/10.1039/..

15

ESPResSo++ 2.0: Advanced methods for multiscale molecular s..:

Guzman, Horacio V ; Tretyakov, Nikita ; Kobayashi, Hideki...
http://arxiv.org/abs/1806.10841. , 2018

Link: http://arxiv.org/abs/180..