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Molecular models should not be published without the corresponding atomic coordinates.

Accepted version
Peer-reviewed

Type

Article

Change log

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 Unfortunately, the authors do not publish representative atomic coordinates or molecular dynamics trajectories for their models, denying researchers the opportunity to scrutinize the data Romero et al.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

Volume Title

116

Publisher

Proceedings of the National Academy of Sciences

Rights

All rights reserved
Sponsorship
Wellcome Trust (098406/Z/12/B)
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).