301. Shell MS (2008) The relative entropy is fundamental to multiscale and inverse thermodynamic problems. J Chem Phys 129:144108
302. Silbermann JR, Klapp SHL, Schoen M, Chennamsetty N, Bock H, Gubbins KE (2006)
Mesoscale modeling of complex binary fluid mixtures: towards an atomistic foundation of
effective potentials. J Chem Phys 124:074105
303. Allen EC, Rutledge GC (2009) Evaluating the transferability of coarse-grained, densitydependent implicit solvent models to mixtures and chains. J Chem Phys 130:034904
304. Mullinax JW, Noid WG (2009) Extended ensemble approach for deriving transferable
coarse-grained potentials. J Chem Phys 131:104110
305. Villa A, Peter C, van der Vegt NFA (2010) Transferability of nonbonded interaction
potentials for coarse-grained simulations: benzene in water. J Chem Theory Comput
6:2434–2444
306. Izvekov S, Chung PW, Rice BM (2010) The multiscale coarse-graining method: assessing its
accuracy and introducing density dependent coarse-grain potentials. J Chem Phys
133:064109
307. Shen JW, Li C, van der Vegt NFA, Peter C (2011) Transferability of coarse grained
potentials: implicit solvent models for hydrated ions. J Chem Theory Comput 7:1916–1927
308. Brini E, Marcon V, van der Vegt NFA (2011) Conditional reversible work method for
molecular coarse graining applications. Phys Chem Chem Phys 13(10):468–10474
309. Liu Z, Yan H, Wang K, Kuang T, Zhang J, Gul L, An X, Chang W (2004) Crystal structure of
spinach major light-harvesting complex at 2.72 Å resolution. Nature 428:287–292
310. Standfuss R, van Scheltinga ACT, Lamborghini M, Ku ¨hlbrandt W (2005) Mechanisms of
photoprotection and nonphotochemical quenching in pea light-harvesting complex at 2.5 Å
resolution. EMBO J 24:919–928
311. Schmid VH (2008) Light-harvesting complexes of vascular plants. Cell Mol Life Sci 65(22):
3619–3639
312. Yang C, Horn R, Paulsen H (2003) The light-harvesting chlorophyll a/b complex can be
reconstituted in vitro from its completely unfolded apoprotein. Biochemistry 42:4527–4533
313. Horn R, Grundmann G, Paulsen H (2007) Consecutive binding of chlorophylls a and b during
the assembly in vitro of light-harvesting chlorophyll-a/b protein (LHCIIb). J Mol Biol
366:1045–1054
314. Dockter C, Volkov A, Bauer C, Polyhach Y, Joly-Lopez Z, Jeschke G, Paulsen H (2009)
Refolding of the integral membrane protein light-harvesting complex II monitored by pulse
EPR. Proc Natl Acad Sci USA 106(44):18485–18490
315. Horn R, Paulsen H (2004) Early steps in the assembly of light-harvesting chlorophyll a/b
complex. J Biol Chem 279(43):44400–44406
316. Dockter C, Mu ¨ller AH, Dietz C, Volkov A, Polyhach Y, Jeschke G, Paulsen H (2012) Rigid
core and flexible terminus: structure of solubilized light-harvesting chlorophyll a/b complex
(LHCII) measured by EPR. J Biol Chem 287:2915–2925. doi:10.1074/jbc.M111.307728
317. Garab G, Lohner K, Laggner P, Farkas T (2000) Self-regulation of the lipid content of
membranes by non-bilayer lipids: a hypothesis. Trends Plant Sci 5(11):489–494
Computational Studies of Biomembrane Systems: Theoretical Considerations. . .
283
302. Silbermann JR, Klapp SHL, Schoen M, Chennamsetty N, Bock H, Gubbins KE (2006)
Mesoscale modeling of complex binary fluid mixtures: towards an atomistic foundation of
effective potentials. J Chem Phys 124:074105
303. Allen EC, Rutledge GC (2009) Evaluating the transferability of coarse-grained, densitydependent implicit solvent models to mixtures and chains. J Chem Phys 130:034904
304. Mullinax JW, Noid WG (2009) Extended ensemble approach for deriving transferable
coarse-grained potentials. J Chem Phys 131:104110
305. Villa A, Peter C, van der Vegt NFA (2010) Transferability of nonbonded interaction
potentials for coarse-grained simulations: benzene in water. J Chem Theory Comput
6:2434–2444
306. Izvekov S, Chung PW, Rice BM (2010) The multiscale coarse-graining method: assessing its
accuracy and introducing density dependent coarse-grain potentials. J Chem Phys
133:064109
307. Shen JW, Li C, van der Vegt NFA, Peter C (2011) Transferability of coarse grained
potentials: implicit solvent models for hydrated ions. J Chem Theory Comput 7:1916–1927
308. Brini E, Marcon V, van der Vegt NFA (2011) Conditional reversible work method for
molecular coarse graining applications. Phys Chem Chem Phys 13(10):468–10474
309. Liu Z, Yan H, Wang K, Kuang T, Zhang J, Gul L, An X, Chang W (2004) Crystal structure of
spinach major light-harvesting complex at 2.72 Å resolution. Nature 428:287–292
310. Standfuss R, van Scheltinga ACT, Lamborghini M, Ku ¨hlbrandt W (2005) Mechanisms of
photoprotection and nonphotochemical quenching in pea light-harvesting complex at 2.5 Å
resolution. EMBO J 24:919–928
311. Schmid VH (2008) Light-harvesting complexes of vascular plants. Cell Mol Life Sci 65(22):
3619–3639
312. Yang C, Horn R, Paulsen H (2003) The light-harvesting chlorophyll a/b complex can be
reconstituted in vitro from its completely unfolded apoprotein. Biochemistry 42:4527–4533
313. Horn R, Grundmann G, Paulsen H (2007) Consecutive binding of chlorophylls a and b during
the assembly in vitro of light-harvesting chlorophyll-a/b protein (LHCIIb). J Mol Biol
366:1045–1054
314. Dockter C, Volkov A, Bauer C, Polyhach Y, Joly-Lopez Z, Jeschke G, Paulsen H (2009)
Refolding of the integral membrane protein light-harvesting complex II monitored by pulse
EPR. Proc Natl Acad Sci USA 106(44):18485–18490
315. Horn R, Paulsen H (2004) Early steps in the assembly of light-harvesting chlorophyll a/b
complex. J Biol Chem 279(43):44400–44406
316. Dockter C, Mu ¨ller AH, Dietz C, Volkov A, Polyhach Y, Jeschke G, Paulsen H (2012) Rigid
core and flexible terminus: structure of solubilized light-harvesting chlorophyll a/b complex
(LHCII) measured by EPR. J Biol Chem 287:2915–2925. doi:10.1074/jbc.M111.307728
317. Garab G, Lohner K, Laggner P, Farkas T (2000) Self-regulation of the lipid content of
membranes by non-bilayer lipids: a hypothesis. Trends Plant Sci 5(11):489–494
Computational Studies of Biomembrane Systems: Theoretical Considerations. . .
283