Molecular models should not be published without the corresponding atomic coordinates.
Accepted version
Peer-reviewed
Repository URI
Repository DOI
Change log
Authors
Graham, Stephen C https://orcid.org/0000-0003-4547-4034
Nagar, Bhushan https://orcid.org/0000-0001-9869-2110
Privé, Gilbert G https://orcid.org/0000-0002-0712-4319
Deane, Janet E https://orcid.org/0000-0002-4863-0330
Abstract
In PNAS, Romero et al. (1) present models of how glucocerebrosidase (GCase) interacts with saposin C (SAPC) and membranes. Unfortunately, the authors do not publish representative atomic coordinates or molecular dynamics trajectories for their models, denying researchers the opportunity to scrutinize the data Romero et al. (1) use to draw their functional conclusions. Access to these data is an important issue for structural biologists (2), and the open release of experimentally determined structural data has been the accepted practice for many years (3). Indeed, Romero et al. rely on several such publically available structures to carry out their study.
Description
Keywords
Deep Learning, Gaucher Disease, Glucosylceramidase, Humans, Molecular Dynamics Simulation, Protein Conformation
Journal Title
Proc Natl Acad Sci U S A
Conference Name
Journal ISSN
0027-8424
1091-6490
1091-6490
Volume Title
116
Publisher
Proceedings of the National Academy of Sciences
Publisher DOI
Rights
All rights reserved
Sponsorship
Wellcome Trust (098406/Z/12/B)
Wellcome Trust (098406/Z/12/Z)
Wellcome Trust (098406/Z/12/Z)
J.E.D. is supported by a Royal Society University Research Fellowship (UF100371). S.C.G. is supported by a Sir Henry Dale Fellowship co-funded by the Royal Society and Wellcome Trust (098406/Z/12/B).