Charge Group Partitioning in Biomolecular Simulation


Molecular simulation techniques are increasingly being used to study biomolecular systems at an atomic level. Such simulations rely on empirical force fields to represent the intermolecular interactions. There are many different force fields available--each based on a different set of assumptions and thus requiring different parametrization procedures… (More)
DOI: 10.1089/cmb.2012.0239