https://3demmethods.i2pc.es/index.php?action=history&feed=atom&title=2022Vant_MD 2026-05-24T21:06:46Z Revision history for this page on the wiki MediaWiki 1.44.2 https://3demmethods.i2pc.es/index.php?title=2022Vant_MD&diff=4222&oldid=prev 2022-04-13T12:55:20Z

<p>Created page with &quot;== Citation == Vant, John W. / Sarkar, Daipayan / Nguyen, Jonathan / Baker, Alexander T. / Vermaas, Josh V. / Singharoy, Abhishek. Exploring cryo-electron microscopy with mol...&quot;</p> <p><b>New page</b></p><div>== Citation ==<br /> <br /> Vant, John W. / Sarkar, Daipayan / Nguyen, Jonathan / Baker, Alexander T. / Vermaas, Josh V. / Singharoy, Abhishek. Exploring cryo-electron microscopy with molecular dynamics. 2022-02. Biochemical Society transactions, Vol. 50, p. 569-581<br /> <br /> == Abstract ==<br /> <br /> Single particle analysis cryo-electron microscopy (EM) and molecular dynamics (MD) have been complimentary methods since cryo-EM was first applied to the field of structural biology. The relationship started by biasing structural models to fit low-resolution cryo-EM maps of large macromolecular complexes not amenable to crystallization. The connection between cryo-EM and MD evolved as cryo-EM maps improved in resolution, allowing advanced sampling algorithms to simultaneously refine backbone and sidechains. Moving beyond a single static snapshot, modern inferencing approaches integrate cryo-EM and MD to generate structural ensembles from cryo-EM map data or directly from the particle images themselves. We summarize the recent history of MD innovations in the area of cryo-EM modeling. The merits for the myriad of MD based cryo-EM modeling methods are discussed, as well as, the discoveries that were made possible by the integration of molecular modeling with cryo-EM. Lastly, current challenges and potential opportunities are reviewed. <br /> <br /> == Keywords ==<br /> <br /> == Links ==<br /> <br /> https://portlandpress.com/biochemsoctrans/article-abstract/50/1/569/230848/Exploring-cryo-electron-microscopy-with-molecular?redirectedFrom=fulltext<br /> <br /> == Related software ==<br /> <br /> == Related methods ==<br /> <br /> == Comments ==</div>

WikiSysop