화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Free Energetics and the Role of Water in the Permeation of Methyl Guanidinium across the Bilayer-Water Interface: Insights from Molecular Dynamics Simulations Using Charge Equilibration Potentials
Ou SC, Lucas TR, Zhong Y, Bauer BA, Hu Y, Patel S
Journal of Physical Chemistry B, 117(13), 3578, 2013
2 Water permeation through DMPC lipid bilayers using polarizable charge equilibration force fields
Bauer BA, Lucas TR, Meninger DJ, Patel S
Chemical Physics Letters, 508(4-6), 289, 2011
3 Variation of Ion Polarizability from Vacuum to Hydration: Insights from Hirshfeld Partitioning
Bauer BA, Lucas TR, Krishtal A, Van Alsenoy C, Patel S
Journal of Physical Chemistry A, 114(34), 8984, 2010