Christopher T. Lee:
ORCID: http://orcid.org/0000-0002-0670-2308
Role: ConceptualizationRole: Data curationRole: Formal analysisRole: InvestigationRole:
MethodologyRole: Project administrationRole: SoftwareRole: ValidationRole: VisualizationRole:
Writing – original draftRole: Writing – review & editing
Justin G. Laughlin:
ORCID: http://orcid.org/0000-0001-8229-9760
Role: Data curationRole: Formal analysisRole: InvestigationRole: MethodologyRole:
SoftwareRole: ValidationRole: VisualizationRole: Writing – original draftRole: Writing
– review & editing
Nils Angliviel de La Beaumelle:
ORCID: http://orcid.org/0000-0001-6052-2976
Role: Data curationRole: Visualization
Rommie E. Amaro:
ORCID: http://orcid.org/0000-0002-9275-9553
Role: ConceptualizationRole: Funding acquisitionRole: ResourcesRole: SupervisionRole:
Writing – review & editing
J. Andrew McCammon: Role: ConceptualizationRole: Funding acquisitionRole: ResourcesRole: SupervisionRole:
Writing – review & editing
Ravi Ramamoorthi: Role: SupervisionRole: Writing – review & editing
Michael Holst:
ORCID: http://orcid.org/0000-0002-3064-4697
Role: ConceptualizationRole: Funding acquisitionRole: MethodologyRole: ResourcesRole:
SupervisionRole: Writing – review & editing
Padmini Rangamani:
ORCID: http://orcid.org/0000-0001-5953-4347
Role: ConceptualizationRole: Formal analysisRole: Funding acquisitionRole: Project
administrationRole: ResourcesRole: SupervisionRole: Writing – original draftRole:
Writing – review & editing
Hugues Berry: Role: Editor
Journal ID (nlm-ta): PLoS Comput Biol
Journal ID (iso-abbrev): PLoS Comput. Biol
Journal ID (publisher-id): plos
Journal ID (pmc): ploscomp
Title:
PLoS Computational Biology
Publisher:
Public Library of Science
(San Francisco, CA USA
)
ISSN
(Print):
1553-734X
ISSN
(Electronic):
1553-7358
Publication date Collection:
April
2020
Publication date
(Electronic):
6
April
2020
Volume: 16
Issue: 4
Electronic Location Identifier: e1007756
Affiliations
[1
]
Department of Mechanical and Aerospace Engineering, University of California, San
Diego, La Jolla, California, United States of America
[2
]
Department of Chemistry and Biochemistry, University of California, San Diego, La
Jolla, California, United States of America
[3
]
Department of Computer Science and Engineering, University of California, San Diego,
La Jolla, California, United States of America
[4
]
Department of Mathematics, University of California, San Diego, La Jolla, California,
United States of America
Author notes
I have read the journals policy and the authors of this manuscript have the following
competing interests: R.E.A. has equity interest in, is a cofounder of, and on the
scientific advisory board of Actavalon, Inc.
Author information
Article
Publisher ID:
PCOMPBIOL-D-19-01230
DOI: 10.1371/journal.pcbi.1007756
PMC ID: 7162555
PubMed ID: 32251448
SO-VID: 1334e10a-5375-47ea-8a74-d30618bdbf6e
Copyright © © 2020 Lee 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.
Funded by: funder-id http://dx.doi.org/10.13039/100000057, National Institute of General Medical Sciences;
Award ID: P41-GM103426
Award Recipient
:
ORCID: http://orcid.org/0000-0002-9275-9553
Rommie E. Amaro
Funded by: funder-id http://dx.doi.org/10.13039/100000057, National Institute of General Medical Sciences;
Award ID: RO1-GM31749
Award Recipient
:
J. Andrew McCammon
Funded by: funder-id http://dx.doi.org/10.13039/100000057, National Institute of General Medical Sciences;
Award ID: T32-GM008326
Funded by: funder-id http://dx.doi.org/10.13039/100000121, Division of Mathematical Sciences;
Award ID: DMS-CM1620366
Award Recipient
:
ORCID: http://orcid.org/0000-0002-3064-4697
Michael Holst
Funded by: funder-id http://dx.doi.org/10.13039/100000121, Division of Mathematical Sciences;
Award ID: DMS-FRG1262982
Award Recipient
:
ORCID: http://orcid.org/0000-0002-3064-4697
Michael Holst
Funded by: funder-id http://dx.doi.org/10.13039/100000181, Air Force Office of Scientific Research;
Award ID: FA9550-18-1-0051
Award Recipient
:
ORCID: http://orcid.org/0000-0001-5953-4347
Padmini Rangamani
Funded by: funder-id http://dx.doi.org/10.13039/100006792, Hartwell Foundation;
Award ID: Postdoctoral Fellowship
Award Recipient
:
ORCID: http://orcid.org/0000-0002-0670-2308
Christopher T. Lee
CTL, REA, JAM, and MH are supported in part by the National Institutes of Health (
https://www.nih.gov) under grant number P41-GM103426. CTL, and JAM are also supported by the National
Institutes of Health (
https://www.nih.gov) under RO1-GM31749. CTL also acknowledges support from the National institutes of
Health (
https://www.nih.gov) Molecular Biophysics Training Grant T32-GM008326 and a Hartwell Foundation Postdoctoral
Fellowship. RR was supported in part by the Ronald L. Graham endowed chair. MH was
supported in part by the National Science Foundation (
https://www.nsf.gov) under awards DMS-CM1620366 and DMS-FRG1262982. PR was supported by the Air Force
Office of Scientific Research (AFOSR,
https://www.wpafb.af.mil/afrl/afosr/) Multidisciplinary University Research Initiative (MURI) FA9550-18-1-0051 and JGL
was supported by a fellowship from the UCSD Center for Transscale Structural Biology
and Biophysics/Virtual Molecular Cell Consortium (
https://vmcc.ucsd.edu/). The funders had no role in study design, data collection and analysis, decision
to publish, or preparation of the manuscript.
Subject:
Research Article
Subject:
Physical Sciences
Subject:
Mathematics
Subject:
Geometry
Subject:
Curvature
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Biology and Life Sciences
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Cell Biology
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Cellular Structures and Organelles
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Cell Membranes
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Physical Sciences
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Mathematics
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Applied Mathematics
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Finite Element Analysis
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Physical Sciences
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Mathematics
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Applied Mathematics
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Algorithms
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Research and Analysis Methods
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Simulation and Modeling
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Algorithms
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Biology and Life Sciences
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Biophysics
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Biophysical Simulations
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Physical Sciences
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Physics
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Biophysics
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Biophysical Simulations
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Biology and Life Sciences
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Computational Biology
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Biophysical Simulations
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Research and Analysis Methods
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Microscopy
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Electron Microscopy
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Biology and Life Sciences
Subject:
Cell Biology
Subject:
Cellular Structures and Organelles
Subject:
Endoplasmic Reticulum
Subject:
Biology and Life Sciences
Subject:
Cell Biology
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Cell Processes
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Secretory Pathway
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Endoplasmic Reticulum
Subject:
Research and Analysis Methods
Subject:
Simulation and Modeling