| dc.contributor.author | Guo, Kai | |
| dc.contributor.author | Buehler, Markus J | |
| dc.date.accessioned | 2022-11-18T19:42:09Z | |
| dc.date.available | 2022-11-18T19:42:09Z | |
| dc.date.issued | 2022 | |
| dc.identifier.uri | https://hdl.handle.net/1721.1/146553 | |
| dc.description.abstract | <jats:p>We present a computational framework based on graph neural networks (GNNs) to predict the natural frequencies of proteins from primary amino acid sequences and contact/distance maps.</jats:p> | en_US |
| dc.language.iso | en | |
| dc.publisher | Royal Society of Chemistry (RSC) | en_US |
| dc.relation.isversionof | 10.1039/D1DD00007A | en_US |
| dc.rights | Creative Commons Attribution NonCommercial License 3.0 | en_US |
| dc.rights.uri | https://creativecommons.org/licenses/by-nc/3.0/ | en_US |
| dc.source | Royal Society of Chemistry (RSC) | en_US |
| dc.title | Rapid prediction of protein natural frequencies using graph neural networks | en_US |
| dc.type | Article | en_US |
| dc.identifier.citation | Guo, Kai and Buehler, Markus J. 2022. "Rapid prediction of protein natural frequencies using graph neural networks." Digital Discovery, 1 (3). | |
| dc.contributor.department | Massachusetts Institute of Technology. Laboratory for Atomistic and Molecular Mechanics | |
| dc.contributor.department | Massachusetts Institute of Technology. Center for Computational Science and Engineering | |
| dc.contributor.department | Massachusetts Institute of Technology. Center for Materials Science and Engineering | |
| dc.relation.journal | Digital Discovery | en_US |
| dc.eprint.version | Final published version | en_US |
| dc.type.uri | http://purl.org/eprint/type/JournalArticle | en_US |
| eprint.status | http://purl.org/eprint/status/PeerReviewed | en_US |
| dc.date.updated | 2022-11-18T19:38:30Z | |
| dspace.orderedauthors | Guo, K; Buehler, MJ | en_US |
| dspace.date.submission | 2022-11-18T19:38:31Z | |
| mit.journal.volume | 1 | en_US |
| mit.journal.issue | 3 | en_US |
| mit.license | PUBLISHER_CC | |
| mit.metadata.status | Authority Work and Publication Information Needed | en_US |
