Assessing AF2’s ability to predict structural ensembles of proteins
Jakob R. Riccabona, Fabian C. Spoendlin, Anna-Lena M. Fischer, Johannes R. Loeffler, Patrick K. Quoika, Timothy P. Jenkins, James A. Ferguson, Eva Smorodina, Andreas H. Laustsen, Victor Greiff, Stefano Forli, Andrew B. Ward, Charlotte M. Deane, Monica L. Fernández‐Quintero
Topics & Concepts
Benchmark (surveying)Computer scienceMolecular dynamicsMaxima and minimaWorkflowProtein structureMachine learningArtificial intelligenceBiological systemChemistryBiologyComputational chemistryMathematicsDatabaseBiochemistryGeodesyGeographyMathematical analysisProtein Structure and DynamicsMass Spectrometry Techniques and ApplicationsEnzyme Structure and Function