Efficient Calculation of Molecular Properties from Simulation Using Kernel Molecular Dynamics.
W. Michael BrownAriella SassonDonald R. BellewLucy A. HunsakerShawn MartinAndrei LeitãoLorraine M. DeckDavid L. Vander JagtTudor I. OpreaPublished in: J. Chem. Inf. Model. (2008)