ArticleJournal of chemical theory and computation2026
Cryo-Electron Microscopy Structural Ensemble Optimization Using Individual Particles.
Article in Journal of chemical theory and computation, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Biomolecules are inherently dynamic, transitioning between various conformational states to execute their biological functions; consequently, characterizing their ensemble distributions (the population of these conformations) is essential for understanding their biological roles. Cryo-electron microscopy (cryo-EM), a technique that images individual biomolecules frozen in a thin layer of amorphous ice, has emerged as a leading method for determining the structure of biomolecules at atomic resolution. Recent advances in cryo-EM reconstruction have enabled significant progress in characterizing conformational variability around metastable states. In contrast to reconstruction, a different class of techniques has been used to infer population weights, referred to as ensemble reweighting. These methods have yet to be generalized to infer structures and weights simultaneously. Here, we present a method for
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