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UCSF ChimeraX: Tools for structure building and analysis
Advances in computational tools for atomic model building are leading to accurate models of large molecular assemblies seen in electron microscopy, often at challenging resolutions of 3–4 Å. We describe new methods in the UCSF ChimeraX molecular modeling package that take advantage of machine‐learni...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley & Sons, Inc.
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10588335/ https://www.ncbi.nlm.nih.gov/pubmed/37774136 http://dx.doi.org/10.1002/pro.4792 |
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author | Meng, Elaine C. Goddard, Thomas D. Pettersen, Eric F. Couch, Greg S. Pearson, Zach J. Morris, John H. Ferrin, Thomas E. |
author_facet | Meng, Elaine C. Goddard, Thomas D. Pettersen, Eric F. Couch, Greg S. Pearson, Zach J. Morris, John H. Ferrin, Thomas E. |
author_sort | Meng, Elaine C. |
collection | PubMed |
description | Advances in computational tools for atomic model building are leading to accurate models of large molecular assemblies seen in electron microscopy, often at challenging resolutions of 3–4 Å. We describe new methods in the UCSF ChimeraX molecular modeling package that take advantage of machine‐learning structure predictions, provide likelihood‐based fitting in maps, and compute per‐residue scores to identify modeling errors. Additional model‐building tools assist analysis of mutations, post‐translational modifications, and interactions with ligands. We present the latest ChimeraX model‐building capabilities, including several community‐developed extensions. ChimeraX is available free of charge for noncommercial use at https://www.rbvi.ucsf.edu/chimerax. |
format | Online Article Text |
id | pubmed-10588335 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | John Wiley & Sons, Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-105883352023-11-01 UCSF ChimeraX: Tools for structure building and analysis Meng, Elaine C. Goddard, Thomas D. Pettersen, Eric F. Couch, Greg S. Pearson, Zach J. Morris, John H. Ferrin, Thomas E. Protein Sci Tools for Protein Science Advances in computational tools for atomic model building are leading to accurate models of large molecular assemblies seen in electron microscopy, often at challenging resolutions of 3–4 Å. We describe new methods in the UCSF ChimeraX molecular modeling package that take advantage of machine‐learning structure predictions, provide likelihood‐based fitting in maps, and compute per‐residue scores to identify modeling errors. Additional model‐building tools assist analysis of mutations, post‐translational modifications, and interactions with ligands. We present the latest ChimeraX model‐building capabilities, including several community‐developed extensions. ChimeraX is available free of charge for noncommercial use at https://www.rbvi.ucsf.edu/chimerax. John Wiley & Sons, Inc. 2023-11-01 /pmc/articles/PMC10588335/ /pubmed/37774136 http://dx.doi.org/10.1002/pro.4792 Text en © 2023 The Authors. Protein Science published by Wiley Periodicals LLC on behalf of The Protein Society. https://creativecommons.org/licenses/by-nc/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc/4.0/ (https://creativecommons.org/licenses/by-nc/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes. |
spellingShingle | Tools for Protein Science Meng, Elaine C. Goddard, Thomas D. Pettersen, Eric F. Couch, Greg S. Pearson, Zach J. Morris, John H. Ferrin, Thomas E. UCSF ChimeraX: Tools for structure building and analysis |
title |
UCSF ChimeraX: Tools for structure building and analysis |
title_full |
UCSF ChimeraX: Tools for structure building and analysis |
title_fullStr |
UCSF ChimeraX: Tools for structure building and analysis |
title_full_unstemmed |
UCSF ChimeraX: Tools for structure building and analysis |
title_short |
UCSF ChimeraX: Tools for structure building and analysis |
title_sort | ucsf chimerax: tools for structure building and analysis |
topic | Tools for Protein Science |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10588335/ https://www.ncbi.nlm.nih.gov/pubmed/37774136 http://dx.doi.org/10.1002/pro.4792 |
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