Recent advancements in AI-driven computational modeling, especially AlphaFold2, have revolutionized the prediction of biological macromolecule structures. AlphaFold2 enabled accurate predictions of structural domains and complex arrangements. However, computational models lack a clear metric for accuracy. This study explores whether computational models can match the crystallographic resolution of crystal structures. By comparing distances between atoms in models and crystal structures using t tests, it was found that AlphaFold2 models are comparable to high-resolution crystal structures (1.1 to 1.5 & Aring;). While these models exhibit exceptional quality, their accuracy is lower than the crystal structure with resolutions better than 1 & Aring;.
What Is the Crystallographic Resolution of Structural Models of Proteins Generated with AlphaFold2?
Carugo, Oliviero
2024-01-01
Abstract
Recent advancements in AI-driven computational modeling, especially AlphaFold2, have revolutionized the prediction of biological macromolecule structures. AlphaFold2 enabled accurate predictions of structural domains and complex arrangements. However, computational models lack a clear metric for accuracy. This study explores whether computational models can match the crystallographic resolution of crystal structures. By comparing distances between atoms in models and crystal structures using t tests, it was found that AlphaFold2 models are comparable to high-resolution crystal structures (1.1 to 1.5 & Aring;). While these models exhibit exceptional quality, their accuracy is lower than the crystal structure with resolutions better than 1 & Aring;.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
