Contributors
Gabor Nagy: Role: ConceptualizationRole: Data curationRole: Formal analysisRole: InvestigationRole:
MethodologyRole: ValidationRole: VisualizationRole: Writing – original draftRole:
Writing – review & editing
Chris Oostenbrink: Role: ConceptualizationRole: Funding acquisitionRole: MethodologyRole: Writing – original
draftRole: Writing – review & editing
Jozef Hritz: Role: ConceptualizationRole: Funding acquisitionRole: MethodologyRole: Project administrationRole:
ResourcesRole: SupervisionRole: ValidationRole: Writing – original draftRole: Writing
– review & editing
Yaakov Koby Levy: Role: Editor
Journal
Journal ID (nlm-ta): PLoS One
Journal ID (iso-abbrev): PLoS ONE
Journal ID (publisher-id): plos
Journal ID (pmc): plosone
Title:
PLoS ONE
Publisher:
Public Library of Science
(San Francisco, CA USA
)
ISSN
(Electronic):
1932-6203
Publication date
(Electronic):
20
July
2017
Publication date Collection: 2017
Volume: 12
Issue: 7
Electronic Location Identifier: e0180633
Affiliations
[1
]
CEITEC-MU, Masaryk University, Brno, Czech Republic
[2
]
Institute for Molecular Modeling and Simulation, University of Natural Resources and
Life Sciences, Vienna, Austria
Weizmann Institute of Science, ISRAEL
Author notes
Competing Interests: The authors have declared that no competing interests exist.
[¤]
Current address: Department of Theoretical and Computational Biophysics, Max Planck
Institute for Biophysical Chemistry, Göttingen, Germany
Article
Publisher ID:
PONE-D-16-38682
DOI: 10.1371/journal.pone.0180633
PMC ID: 5519036
PubMed ID: 28727767
SO-VID: bb24b089-9828-4cfb-bcdf-c0c08388c302
Copyright © © 2017 Nagy et al
License:
This is an open access article distributed under the terms of the
Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided
the original author and source are credited.
History
Date
received
: 27
September
2016
Date
accepted
: 19
June
2017
Page count
Figures: 10,
Tables: 2,
Pages: 30
Funding
Funded by: SoMoPro II
Award Recipient
:
Jozef Hritz
Funded by: Czech Science Foundation
Award ID: GF15-34684L
Award Recipient
:
Jozef Hritz
Funded by: Czech Science Foundation
Award ID: GF15-34684L
Award Recipient
:
Gabor Nagy
Funded by: FWF
Award ID: W1224
Award Recipient
:
Gabor Nagy
Funded by: FWF
Award ID: I 1999-N28
Award Recipient
:
Chris Oostenbrink
Funded by: ERC
Award ID: 240608
Award Recipient
:
Chris Oostenbrink
This work was supported by Czech Science Foundation, no. GF15-34684L (J.H., G.N.).
J.H. was also supported from the SoMoPro II Programme, co-financed by the European
Union and the South Moravian Region (Czech Republic). The paper reflects only the
author's views and the Union is not liable for any use that may be made of the information
contained therein. G.N. also acknowledges the BioTop doctoral exchange program, funded
by the Austrian Science Fund (FWF; grant no. W1224). C.O. gratefully acknowledges
the financial support of the Austrian Science Foundation (FWF; grant no. I 1999-N28)
and the European Research Council (ERC; grant no. 240608). The computational simulations
were realised in the National Supercomputing Center IT4Innovations, which was supported
by The Ministry of Education, Youth and Sports from the Large Infrastructures for
Research, Experimental Development and Innovations project– LM2015070. Further computational
resources were provided by the CESNET LM2015042 and the CERIT Scientific Cloud LM2015085,
provided under the programme "Projects of Large Research, Development, and Innovations
Infrastructures." The funders had no role in study design, data collection and analysis,
decision to publish, or preparation of the manuscript.
Categories
Subject:
Research Article
Subject:
Biology and Life Sciences
Subject:
Biochemistry
Subject:
Biochemical Simulations
Subject:
Biology and Life Sciences
Subject:
Computational Biology
Subject:
Biochemical Simulations
Subject:
Physical sciences
Subject:
Chemistry
Subject:
Chemical physics
Subject:
Dimers (Chemical physics)
Subject:
Physical sciences
Subject:
Physics
Subject:
Chemical physics
Subject:
Dimers (Chemical physics)
Subject:
Physical Sciences
Subject:
Physics
Subject:
Thermodynamics
Subject:
Free Energy
Subject:
Physical Sciences
Subject:
Physics
Subject:
Condensed Matter Physics
Subject:
Solid State Physics
Subject:
Crystallography
Subject:
Crystal Structure
Subject:
Biology and Life Sciences
Subject:
Biochemistry
Subject:
Proteomics
Subject:
Peptide Mapping
Subject:
Biology and Life Sciences
Subject:
Biochemistry
Subject:
Proteins
Subject:
Protein Interactions
Subject:
Biology and Life Sciences
Subject:
Biochemistry
Subject:
Proteins
Subject:
Post-Translational Modification
Subject:
Phosphorylation
Subject:
Research and Analysis Methods
Subject:
Simulation and Modeling
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