CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field
Kognole, AA; Lee, J; Park, SJ; Jo, S; Chatterjee, P; Lemkul, JA; Huang, J; MacKerell, AD; Im, W
MacKerell, AD (通讯作者)，Univ Maryland, Sch Pharm, Dept Pharmaceut Sci, Baltimore, MD 21201 USA.;Im, W (通讯作者)，Lehigh Univ, Dept Biol Sci, Bethlehem, PA 18015 USA.;Im, W (通讯作者)，Lehigh Univ, Dept Chem, Bethlehem, PA 18015 USA.;Im, W (通讯作者)，Lehigh Univ, Dept Bioengn, Bethlehem, PA 18015 USA.;Im, W (通讯作者)，Lehigh Univ, Dept Comp Sci & Engn, Bethlehem, PA 18015 USA.
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2022; 43 (5): 359
