Systematic coarse graining from structure using internal states: application to phospholipid/cholesterol bilayer.
Murtola T, Karttunen M, Vattulainen I.
Murtola T, et al.
J Chem Phys. 2009 Aug 7;131(5):055101. doi: 10.1063/1.3167405.
J Chem Phys. 2009.
PMID: 19673586
The effective CG interactions are determined using radial distribution functions (RDFs) from atom-scale molecular dynamics simulations using the inverse Monte Carlo (IMC) technique, based on our earlier work [T. Murtola et al., J. Chem. Phys. 121, 9156 (2004); J. Ch …
The effective CG interactions are determined using radial distribution functions (RDFs) from atom-scale molecular dynamics simulations using …