Finding the Ion in the RNA-Stack: Can Computational Models Accurately Predict Key Functional Elements in Large Macromolecular Complexes?
Marco Marcia, Jacopo Manigrasso, Marco De Vivo
Abstract
This viewpoint discusses the predictive power and impact of computational analyses and simulations to gain prospective, experimentally supported mechanistic insights into complex biological systems. Remarkably, two newly resolved cryoEM structures have confirmed the previous, and independent, prediction of the precise localization and dynamics of key catalytic ions in megadalton-large spliceosomal complexes. This outstanding outcome endorses a prominent synergy of computational and experimental methods in the prospective exploration of such large multicomponent biosystems.
Topics & Concepts
Stack (abstract data type)Key (lock)Computer scienceComputational modelMolecular dynamicsRNAIonBiological systemBiochemical engineeringStatistical physicsChemistryNanotechnologyComputational chemistryChemical physicsArtificial intelligenceMaterials sciencePhysicsBiologyEngineeringGeneComputer securityProgramming languageOrganic chemistryBiochemistryRNA and protein synthesis mechanismsRNA Research and SplicingRNA modifications and cancer