Molecular dynamics studies of native and substituted cyclodextrins in different media: 1. Charge derivation and force field performances

Christine Cézard, Xavier Trivelli, Frédéric Aubry, Florence Djedaïni-Pilard, François-Yves Dupradeau
  • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry
  • DOI: 10.1039/c1cp20854c