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Membrane proteins diffuse as dynamic complexes with lipids.
Niemelä PS, Miettinen MS, Monticelli L, Hammaren H, Bjelkmar P, Murtola T, Lindahl E, Vattulainen I. Niemelä PS, et al. Among authors: murtola t. J Am Chem Soc. 2010 Jun 9;132(22):7574-5. doi: 10.1021/ja101481b. J Am Chem Soc. 2010. PMID: 20469857
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 …
Coarse-grained model for phospholipid/cholesterol bilayer employing inverse Monte Carlo with thermodynamic constraints.
Murtola T, Falck E, Karttunen M, Vattulainen I. Murtola T, et al. J Chem Phys. 2007 Feb 21;126(7):075101. doi: 10.1063/1.2646614. J Chem Phys. 2007. PMID: 17328634
The effective interactions for the CG model are extracted from atomic-scale molecular dynamics simulations using the inverse Monte Carlo (IMC) technique, an approach similar to the one the authors used earlier to construct another CG bilayer model [T. Murtola et al. …
The effective interactions for the CG model are extracted from atomic-scale molecular dynamics simulations using the inverse Monte Carlo (IM …
156 results