Rapid prediction of protein natural frequencies using graph neural networks
<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>
| Main Authors: | , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
Royal Society of Chemistry (RSC)
2022
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| Online Access: | https://hdl.handle.net/1721.1/146553 |
| _version_ | 1826203599860924416 |
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| author | Guo, Kai Buehler, Markus J |
| author2 | Massachusetts Institute of Technology. Laboratory for Atomistic and Molecular Mechanics |
| author_facet | Massachusetts Institute of Technology. Laboratory for Atomistic and Molecular Mechanics Guo, Kai Buehler, Markus J |
| author_sort | Guo, Kai |
| collection | MIT |
| description | <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> |
| first_indexed | 2024-09-23T12:39:51Z |
| format | Article |
| id | mit-1721.1/146553 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T12:39:51Z |
| publishDate | 2022 |
| publisher | Royal Society of Chemistry (RSC) |
| record_format | dspace |
| spelling | mit-1721.1/1465532023-01-27T20:12:55Z Rapid prediction of protein natural frequencies using graph neural networks Guo, Kai Buehler, Markus J Massachusetts Institute of Technology. Laboratory for Atomistic and Molecular Mechanics Massachusetts Institute of Technology. Center for Computational Science and Engineering Massachusetts Institute of Technology. Center for Materials Science and Engineering <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> 2022-11-18T19:42:09Z 2022-11-18T19:42:09Z 2022 2022-11-18T19:38:30Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/146553 Guo, Kai and Buehler, Markus J. 2022. "Rapid prediction of protein natural frequencies using graph neural networks." Digital Discovery, 1 (3). en 10.1039/D1DD00007A Digital Discovery Creative Commons Attribution NonCommercial License 3.0 https://creativecommons.org/licenses/by-nc/3.0/ application/pdf Royal Society of Chemistry (RSC) Royal Society of Chemistry (RSC) |
| spellingShingle | Guo, Kai Buehler, Markus J Rapid prediction of protein natural frequencies using graph neural networks |
| title | Rapid prediction of protein natural frequencies using graph neural networks |
| title_full | Rapid prediction of protein natural frequencies using graph neural networks |
| title_fullStr | Rapid prediction of protein natural frequencies using graph neural networks |
| title_full_unstemmed | Rapid prediction of protein natural frequencies using graph neural networks |
| title_short | Rapid prediction of protein natural frequencies using graph neural networks |
| title_sort | rapid prediction of protein natural frequencies using graph neural networks |
| url | https://hdl.handle.net/1721.1/146553 |
| work_keys_str_mv | AT guokai rapidpredictionofproteinnaturalfrequenciesusinggraphneuralnetworks AT buehlermarkusj rapidpredictionofproteinnaturalfrequenciesusinggraphneuralnetworks |