Kathleen Molyneaux: Role: Formal analysisRole: InvestigationRole: MethodologyRole: VisualizationRole:
Writing – original draftRole: Writing – review & editing
Christian Laggner: Role: Formal analysisRole: MethodologyRole: SoftwareRole: VisualizationRole: Writing
– review & editing
Jason Vincent: Role: InvestigationRole: Writing – review & editing
Susann Brady-Kalnay: Role: ConceptualizationRole: Funding acquisitionRole: Project administrationRole:
SupervisionRole: Writing – review & editing
Ji Young Yoo: Role: Editor
Journal ID (nlm-ta): PLoS One
Journal ID (iso-abbrev): PLoS One
Journal ID (publisher-id): plos
Title:
PLOS ONE
Publisher:
Public Library of Science
(San Francisco, CA USA
)
ISSN
(Electronic):
1932-6203
Publication date
(Electronic):
26
July
2023
Publication date Collection: 2023
Volume: 18
Issue: 7
Electronic Location Identifier: e0288980
Affiliations
[1
]
Department of Molecular Biology & Microbiology, Case Western Reserve University, Cleveland,
Ohio, United States of America
[2
]
Atomwise Inc., San Francisco, California, United States of America
UTHSC: The University of Texas Health Science Center at Houston, UNITED STATES
Author notes
Competing Interests: This study was funded in part by Atomwise Inc. C.L. received funding in the form of
salary from Atomwise Inc. They performed the virtual screen, provided the compounds,
wrote the computational portion of the results section, and provided editorial comments
on the rest of the manuscript. The authors would like to declare the following patent
applications associated with this research: 63/345,100; 63/401,908; and 63/477,025.
This does not alter our adherence to PLOS ONE policies on sharing data and materials.
Article
Publisher ID:
PONE-D-22-24772
DOI: 10.1371/journal.pone.0288980
PMC ID: 10370706
PubMed ID: 37494327
SO-VID: 358302a0-787a-4ea9-9fd1-37aee2808d50
Copyright © © 2023 Molyneaux 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.
This study was funded in part by Atomwise Inc. C.L. received funding in the form of
salary from Atomwise Inc. Atomwise Inc. performed the virtual screen, provided the
compounds, wrote the computational portion of the results section, and provided editorial
comments on the rest of the manuscript. The funders had no additional roles in study
design, data collection and analysis or decision to publish. No additional external
funding was received for this study. The specific roles of these authors are articulated
in the ‘author contributions’ section.
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