Nuria Plattner: search on Z-Library

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1

Complete protein–protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling

Plattner, Nuria, Doerr, Stefan, De Fabritiis, Gianni, Noé, Frank

Journal:

Nature Chemistry

Year:

2017

Language:

english

File:

PDF, 3.53 MB

english, 2017

2

The effect of classical and quantum dynamics on vibrational frequency shifts of H2 in clathrate hydrates

Plattner, Nuria, Meuwly, Markus

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.11 MB

english, 2014

3

Atomistic Simulations of CO Vibrations in Ices Relevant to Astrochemistry

Nuria Plattner, Markus Meuwly

Journal:

Year:

2008

Language:

english

File:

PDF, 536 KB

english, 2008

4

PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models

Scherer, Martin K., Trendelkamp-Schroer, Benjamin, Paul, Fabian, Perez-Hernandez, Guillermo, Hoffmann, Moritz, Plattner, Nuria, Wehmeyer, Christoph, Prinz, Jan-Hendrik, Noé, Frank

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 6.51 MB

english, 2015

5

MD simulations using distributed multipole electrostatics: Structural and spectroscopic properties of CO- and methane-containing clathrates

Plattner, Nuria, Bandi, Tobias, Doll, J. D., Freeman, David, Meuwly, Markus

Journal:

Molecular Physics

Year:

2008

Language:

english

File:

PDF, 1002 KB

english, 2008

6

Quantifying the Importance of Protein Conformation on Ligand Migration in Myoglobin

Plattner, Nuria, Meuwly, Markus

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 856 KB

english, 2012

7

Projected and hidden Markov models for calculating kinetics and metastable states of complex molecules

Noé, Frank, Wu, Hao, Prinz, Jan-Hendrik, Plattner, Nuria

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.69 MB

english, 2013

8

An infinite swapping approach to the rare-event sampling problem

Plattner, Nuria, Doll, J. D., Dupuis, Paul, Wang, Hui, Liu, Yufei, Gubernatis, J. E.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.82 MB

english, 2011

9

Rare-event sampling: Occupation-based performance measures for parallel tempering and infinite swapping Monte Carlo methods

Doll, J. D., Plattner, Nuria, Freeman, David L., Liu, Yufei, Dupuis, Paul

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.29 MB

english, 2012

10

Crystal structure of the dynamin tetramer

Reubold, Thomas F., Faelber, Katja, Plattner, Nuria, Posor, York, Ketel, Katharina, Curth, Ute, Schlegel, Jeanette, Anand, Roopsee, Manstein, Dietmar J., Noé, Frank, Haucke, Volker, Daumke, Oliver, Es

Journal:

Year:

2015

Language:

english

File:

PDF, 14.54 MB

english, 2015

11

Application of Multipolar Charge Models and Molecular Dynamics Simulations to Study Stark Shifts in Inhomogeneous Electric Fields †

Devereux, Michael, Plattner, Nuria, Meuwly, Markus

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 3.31 MB

english, 2009

12

A spatial averaging approach to rare-event sampling

Doll, J. D., Gubernatis, J. E., Plattner, Nuria, Meuwly, Markus, Dupuis, P., Wang, H.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.28 MB

english, 2009

13

Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models

Plattner, Nuria, Noé, Frank

Journal:

Nature Communications

Year:

2015

Language:

english

File:

PDF, 3.26 MB

english, 2015

14

Spatial Averaging: Sampling Enhancement for Exploring Configurational Space of Atomic Clusters and Biomolecules

Hédin, Florent, Plattner, Nuria, Doll, J. D., Meuwly, Markus

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 7.52 MB

english, 2014

15

Coupling of conformational switches in calcium sensor unraveled with local Markov models and transfer entropy

Hempel, Tim, Plattner, Nuria, NoÃ©, Frank

Journal:

Journal of Chemical Theory and Computation

Year:

2020

Language:

english

File:

PDF, 2.17 MB

english, 2020

16

Higher order multipole moments for molecular dynamics simulations

Nuria Plattner, Markus Meuwly

Journal:

Journal of Molecular Modeling

Year:

2009

Language:

english

File:

PDF, 423 KB

english, 2009

17

The Role of Higher CO-Multipole Moments in Understanding the Dynamics of Photodissociated Carbonmonoxide in Myoglobin

Plattner, Nuria, Meuwly, Markus

Journal:

Biophysical Journal

Year:

2008

Language:

english

File:

PDF, 437 KB

english, 2008

18

Spatial averaging for small molecule diffusion in condensed phase environments

Plattner, Nuria, Doll, J. D., Meuwly, Markus

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 3.15 MB

english, 2010

19

Structure, spectroscopy and dynamics of layered H2O and CO2 ices

Lee, Myung Won, Plattner, Nuria, Meuwly, Markus

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 5.91 MB

english, 2012

20

Structural and spectroscopic characterization of mixed planetary ices

Plattner, Nuria, Lee, Myung Won, Meuwly, Markus

Journal:

Faraday Discussions

Year:

2010

Language:

english

File:

PDF, 366 KB

english, 2010

21

On the Infinite Swapping Limit for Parallel Tempering

Dupuis, Paul, Liu, Yufei, Plattner, Nuria, Doll, J. D.

Journal:

Multiscale Modeling and Simulation

Year:

2012

Language:

english

File:

PDF, 451 KB

english, 2012

22

Overcoming the Rare Event Sampling Problem in Biological Systems with Infinite Swapping

Plattner, Nuria, Doll, J. D., Meuwly, Markus

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.76 MB

english, 2013

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