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437 Publications visible to you, out of a total of 437

Parallel multiphysics simulations using OpenPALM with application to hydrology-biogeochemistry coupling

Data Mining and Uncertainty Quantification

Abstract

Not specified

Authors: M. Wlotzka, V. Heuveline, S. Klatt, D. Kraus, E. Haas, R. Kiese, K. Butterbach-Bahl, P. Kraft, L. Breuer

Date Published: 2017

Publication Type: InCollection

Citation: In Modeling, Simulation and Optimization of Complex Processes - HPSC 2015, Eds: Bock, H.G. and Phu, H.X. and Rannacher, R. and Schlöder, J.P., Springer

Created: 7th Sep 2019 at 10:40, Last updated: 5th Mar 2024 at 21:23

An energy-efficient parallel multigrid methods for multi-core CPU platforms and HPC clusters

Data Mining and Uncertainty Quantification

Abstract

Not specified

Authors: M. Wlotzka, V. Heuveline

Date Published: 2017

Publication Type: Journal

Citation: EMCL Preprint Series, vol. 03

Created: 7th Sep 2019 at 10:40, Last updated: 5th Mar 2024 at 21:23

New features for advanced dynamic parallel communication routines in OpenPALM: Algorithms and documentation

Data Mining and Uncertainty Quantification

Abstract

Not specified

Authors: M. Wlotzka, T. Morel, A. Piacentini, V. Heuveline

Date Published: 2017

Publication Type: Journal

Citation: EMCL Preprint Series, vol. 04

Created: 7th Sep 2019 at 10:40, Last updated: 5th Mar 2024 at 21:23

Sampling Long- versus Short-Range Interactions Defines the Ability of Force Fields To Reproduce the Dynamics of Intrinsically Disordered Proteins

Molecular Biomechanics

Abstract

Not specified

Authors: Davide Mercadante, Johannes A. Wagner, Iker V. Aramburu, Edward A. Lemke, Frauke Gräter

Date Published: 2017

Publication Type: Journal

PubMed ID: 28805390

DOI: 10.1021/acs.jctc.7b00143

Citation: Journal of Chemical Theory and Computation, 13:3964–3974

Created: 7th Sep 2019 at 11:32, Last updated: 5th Mar 2024 at 21:23

The mechano-sensing role of the unique SH3 insertion in plakin domains revealed by Molecular Dynamics simulations

Molecular Biomechanics

Abstract

Not specified

Authors: Csaba Daday, Katra Kolšek, Frauke Gräter

Date Published: 2017

Publication Type: Journal

PubMed ID: 28916774

DOI: 10.1038/s41598-017-11017-2

Citation: Scientific Reports, 7:11669

Created: 7th Sep 2019 at 11:32, Last updated: 5th Mar 2024 at 21:23

Stress propagation through biological lipid bilayers in silico

Molecular Biomechanics

Abstract

Not specified

Authors: Camilo Aponte-Santamaría, Jan Brunken, Frauke Gräter

Date Published: 2017

Publication Type: Journal

PubMed ID: 28853287

DOI: 10.1021/jacs.7b04724

Citation: JACS Communication, 139:13588–13591

Created: 7th Sep 2019 at 11:32, Last updated: 5th Mar 2024 at 21:23

Accessibility explains preferred thiol-disulfide isomerization in a protein domain.

Molecular Biomechanics

Abstract

Not specified

Authors: Katra Kolšek, Camilo Aponte-Santamaría, Frauke Gräter

Date Published: 2017

Publication Type: Journal

PubMed ID: 28851879

DOI: 10.1038/s41598-017-07501-4

Citation: Scientific Reports, 7:9858

Created: 7th Sep 2019 at 11:32, Last updated: 5th Mar 2024 at 21:23

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