https://3demmethods.i2pc.es/index.php?action=history&feed=atom&title=2022Beton_Fitting 2026-06-13T12:17:07Z Revision history for this page on the wiki MediaWiki 1.44.2 https://3demmethods.i2pc.es/index.php?title=2022Beton_Fitting&diff=4355&oldid=prev 2023-06-28T08:35:15Z

<p>Created page with &quot;== Citation == Beton, Joseph George / Cragnolini, Tristan / Kaleel, Manaz / Mulvaney, Thomas / Sweeney, Aaron / Topf, Maya. Integrating model simulation tools and cryo-electr...&quot;</p> <p><b>New page</b></p><div>== Citation ==<br /> <br /> Beton, Joseph George / Cragnolini, Tristan / Kaleel, Manaz / Mulvaney, Thomas / Sweeney, Aaron / Topf, Maya. Integrating model simulation tools and cryo-electron microscopy. 2022. Wiley Interdisciplinary Reviews: Computational Molecular Science, p. e1642 <br /> <br /> == Abstract ==<br /> <br /> The power of computer simulations, including machine-learning, has become<br /> an inseparable part of scientific analysis of biological data. This has significantly<br /> impacted the field of cryogenic electron microscopy (cryo-EM), which<br /> has grown dramatically since the “resolution-revolution.” Many maps are now<br /> solved at 3–4 Å or better resolution, although a significant proportion of maps<br /> deposited in the Electron Microscopy Data Bank are still at lower resolution,<br /> where the positions of atoms cannot be determined unambiguously. Additionally,<br /> cryo-EM maps are often characterized by a varying local resolution, partly<br /> due to conformational heterogeneity of the imaged molecule. To address such<br /> problems, many computational methods have been developed for cryo-EM<br /> map reconstruction and atomistic model building. Here, we review the development<br /> in algorithms and tools for building models in cryo-EM maps at different<br /> resolutions. We describe methods for model building, including rigid and<br /> flexible fitting of known models, model validation, small-molecule fitting, and<br /> model visualization. We provide examples of how these methods have been<br /> used to elucidate the structure and function of dynamic macromolecular<br /> machines.<br /> This article is categorized under:<br /> Structure and Mechanism &gt; Molecular Structures<br /> Structure and Mechanism &gt; Computational Biochemistry and Biophysics<br /> Software &gt; Molecular Modeling<br /> <br /> == Keywords ==<br /> <br /> == Links ==<br /> <br /> https://wires.onlinelibrary.wiley.com/doi/full/10.1002/wcms.1642<br /> <br /> == Related software ==<br /> <br /> == Related methods ==<br /> <br /> == Comments ==</div>

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