Publications by authors named "Nuria Plattner"

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Coupling of Conformational Switches in Calcium Sensor Unraveled with Local Markov Models and Transfer Entropy.
Tim Hempel, Nuria Plattner, Frank Noé

J Chem Theory Comput· April 2020

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Complete protein-protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling.
Nuria Plattner, Stefan Doerr, Gianni De Fabritiis, Frank Noé

Nat Chem· October 2017

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PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models.
Martin K Scherer, Benjamin Trendelkamp-Schroer, Fabian Paul, Guillermo Pérez-Hernández, Moritz Hoffmann, Nuria Plattner

J Chem Theory Comput· November 2015

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Crystal structure of the dynamin tetramer.
Thomas F Reubold, Katja Faelber, Nuria Plattner, York Posor, Katharina Ketel

Nature· September 2015

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Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models.
Nuria Plattner, Frank Noé

Nat Commun· July 2015

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Spatial Averaging: Sampling Enhancement for Exploring Configurational Space of Atomic Clusters and Biomolecules.
Florent Hédin, Nuria Plattner, J D Doll, Markus Meuwly

J Chem Theory Comput· October 2014

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The effect of classical and quantum dynamics on vibrational frequency shifts of H2 in clathrate hydrates.
Nuria Plattner, Markus Meuwly

J Chem Phys· January 2014

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Projected and hidden Markov models for calculating kinetics and metastable states of complex molecules.
Frank Noé, Hao Wu, Jan-Hendrik Prinz, Nuria Plattner

J Chem Phys· November 2013

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Overcoming the Rare Event Sampling Problem in Biological Systems with Infinite Swapping.
Nuria Plattner, J D Doll, Markus Meuwly

J Chem Theory Comput· September 2013

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Structure, spectroscopy and dynamics of layered H2O and CO2 ices.
Myung Won Lee, Nuria Plattner, Markus Meuwly

Phys Chem Chem Phys· November 2012

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Rare-event sampling: occupation-based performance measures for parallel tempering and infinite swapping Monte Carlo methods.
J D Doll, Nuria Plattner, David L Freeman, Yufei Liu, Paul Dupuis

J Chem Phys· November 2012

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Quantifying the importance of protein conformation on ligand migration in myoglobin.
Nuria Plattner, Markus Meuwly

Biophys J· January 2012

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An infinite swapping approach to the rare-event sampling problem.
Nuria Plattner, J D Doll, Paul Dupuis, Hui Wang, Yufei Liu

J Chem Phys· October 2011

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Structural and spectroscopic characterization of mixed planetary ices.
Nuria Plattner, Myung Won Lee, Markus Meuwly

Faraday Discuss· February 2011

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Spatial averaging for small molecule diffusion in condensed phase environments.
Nuria Plattner, J D Doll, Markus Meuwly

J Chem Phys· July 2010

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Application of multipolar charge models and molecular dynamics simulations to study stark shifts in inhomogeneous electric fields.
Michael Devereux, Nuria Plattner, Markus Meuwly

J Phys Chem A· November 2009

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Higher order multipole moments for molecular dynamics simulations.
Nuria Plattner, Markus Meuwly

J Mol Model· June 2009

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Atomistic simulations of CO vibrations in ices relevant to astrochemistry.
Nuria Plattner, Markus Meuwly

Chemphyschem· June 2008

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The role of higher CO-multipole moments in understanding the dynamics of photodissociated carbonmonoxide in myoglobin.
Nuria Plattner, Markus Meuwly

Biophys J· April 2008

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