Molecular simulations of IDPs: From ensemble generation to IDP interactions leading to disorder-to-order transitions
Hebah Fatafta, Suman Samantray, Abdallah Sayyed–Ahmad, Orkid Coskuner‐Weber, Birgit Strodel
Topics & Concepts
Intrinsically disordered proteinsMolecular dynamicsStatistical physicsMetadynamicsCharacterization (materials science)ReplicaComputer sciencePhysicsNanotechnologyChemistryMaterials scienceComputational chemistryVisual artsNuclear magnetic resonanceArtProtein Structure and DynamicsEnzyme Structure and FunctionRNA and protein synthesis mechanisms