https://3demmethods.i2pc.es/index.php?action=history&feed=atom&title=2023Dsouza_benchmark 2026-05-24T20:20:59Z Revision history for this page on the wiki MediaWiki 1.44.2 https://3demmethods.i2pc.es/index.php?title=2023Dsouza_benchmark&diff=4460&oldid=prev 2023-09-06T12:03:37Z

<p>Created page with &quot;== Citation == Dsouza, Raison / Mashayekhi, Ghoncheh / Etemadpour, Roshanak / Schwander, Peter / Ourmazd, Abbas. Energy landscapes from cryo-EM snapshots: a benchmarking stud...&quot;</p> <p><b>New page</b></p><div>== Citation ==<br /> <br /> Dsouza, Raison / Mashayekhi, Ghoncheh / Etemadpour, Roshanak / Schwander, Peter / Ourmazd, Abbas. Energy landscapes from cryo-EM snapshots: a benchmarking study. 2023. Scientific Reports, Vol. 13, No. 1, p. 1372 <br /> <br /> == Abstract ==<br /> <br /> Biomolecules undergo continuous conformational motions, a subset of which are functionally<br /> relevant. Understanding, and ultimately controlling biomolecular function are predicated on<br /> the ability to map continuous conformational motions, and identify the functionally relevant<br /> conformational trajectories. For equilibrium and near-equilibrium processes, function proceeds along<br /> minimum-energy pathways on one or more energy landscapes, because higher-energy conformations<br /> are only weakly occupied. With the growing interest in identifying functional trajectories, the need for<br /> reliable mapping of energy landscapes has become paramount. In response, various data-analytical<br /> tools for determining structural variability are emerging. A key question concerns the veracity with<br /> which each data-analytical tool can extract functionally relevant conformational trajectories from<br /> a collection of single-particle cryo-EM snapshots. Using synthetic data as an independently known<br /> ground truth, we benchmark the ability of four leading algorithms to determine biomolecular<br /> energy landscapes and identify the functionally relevant conformational paths on these landscapes.<br /> Such benchmarking is essential for systematic progress toward atomic-level movies of continuous<br /> biomolecular function.<br /> <br /> == Keywords ==<br /> <br /> == Links ==<br /> <br /> https://www.nature.com/articles/s41598-023-28401-w<br /> <br /> == Related software ==<br /> <br /> == Related methods ==<br /> <br /> == Comments ==</div>

WikiSysop