Predicting solution scattering patterns with explicit-solvent molecular simulations

Leonie Chatzimagas, Jochen S. Hub

2022Methods in enzymology on CD-ROM/Methods in enzymology15 citationsDOI

Topics & Concepts

Solvent modelsMolecular dynamicsStatistical physicsSolventScatteringNeutron scatteringComputer scienceChemistryComputational scienceChemical physicsComputational physicsComputational chemistryPhysicsSolvationQuantum mechanicsOrganic chemistryEnzyme Structure and FunctionProtein Structure and DynamicsMachine Learning in Materials Science