The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models WG Noid, JW Chu, GS Ayton, V Krishna, S Izvekov, GA Voth, A Das, ... The Journal of chemical physics 128 (24), 244114, 2008 | 978 | 2008 |
Multiscale modeling of biomolecular systems: in serial and in parallel GS Ayton, WG Noid, GA Voth Current opinion in structural biology 17 (2), 192-198, 2007 | 519 | 2007 |
The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models WG Noid, P Liu, Y Wang, JW Chu, GS Ayton, S Izvekov, HC Andersen, ... The Journal of chemical physics 128 (24), 244115, 2008 | 430 | 2008 |
Multiscale coarse-graining and structural correlations: Connections to liquid-state theory WG Noid, JW Chu, GS Ayton, GA Voth The Journal of Physical Chemistry B 111 (16), 4116-4127, 2007 | 239 | 2007 |
Microscopic expressions for the thermodynamic temperature OG Jepps, G Ayton, DJ Evans Physical Review E 62 (4), 4757, 2000 | 192 | 2000 |
Configurational temperature: verification of Monte Carlo simulations BD Butler, G Ayton, OG Jepps, DJ Evans The Journal of chemical physics 109 (16), 6519-6522, 1998 | 177 | 1998 |
Bridging microscopic and mesoscopic simulations of lipid bilayers G Ayton, GA Voth Biophysical Journal 83 (6), 3357-3370, 2002 | 149 | 2002 |
Membrane remodeling from N-BAR domain interactions: insights from multi-scale simulation GS Ayton, PD Blood, GA Voth Biophysical journal 92 (10), 3595-3602, 2007 | 121 | 2007 |
Systematic multiscale simulation of membrane protein systems GS Ayton, GA Voth Current opinion in structural biology 19 (2), 138-144, 2009 | 118 | 2009 |
Coupling field theory with continuum mechanics: a simulation of domain formation in giant unilamellar vesicles GS Ayton, JL McWhirter, P McMurtry, GA Voth Biophysical journal 88 (6), 3855-3869, 2005 | 100 | 2005 |
New insights into BAR domain-induced membrane remodeling GS Ayton, E Lyman, V Krishna, RD Swenson, C Mim, VM Unger, GA Voth Biophysical journal 97 (6), 1616-1625, 2009 | 98 | 2009 |
Multiscale computer simulation of the immature HIV-1 virion GS Ayton, GA Voth Biophysical journal 99 (9), 2757-2765, 2010 | 88 | 2010 |
Multiscale coupling of mesoscopic-and atomistic-level lipid bilayer simulations R Chang, GS Ayton, GA Voth The Journal of chemical physics 122 (24), 244716, 2005 | 82 | 2005 |
Hybrid coarse-graining approach for lipid bilayers at large length and time scales GS Ayton, GA Voth The Journal of Physical Chemistry B 113 (13), 4413-4424, 2009 | 80 | 2009 |
Hierarchical coarse-graining strategy for protein-membrane systems to access mesoscopic scales GS Ayton, E Lyman, GA Voth Faraday discussions 144, 347-357, 2010 | 75 | 2010 |
Membrane binding by the endophilin N-BAR domain H Cui, GS Ayton, GA Voth Biophysical journal 97 (10), 2746-2753, 2009 | 72 | 2009 |
Interfacing continuum and molecular dynamics: an application to lipid bilayers G Ayton, SG Bardenhagen, P McMurtry, D Sulsky, GA Voth The Journal of Chemical Physics 114 (15), 6913-6924, 2001 | 71 | 2001 |
Emerging methods for multiscale simulation of biomolecular systems JW Chu, GS Ayton, S Izvekov, GA Voth Molecular Physics 105 (2-3), 167-175, 2007 | 69 | 2007 |
A local fluctuation theorem G Ayton, DJ Evans, DJ Searles The Journal of chemical physics 115 (5), 2033-2037, 2001 | 69 | 2001 |
Coupling field theory with mesoscopic dynamical simulations of multicomponent lipid bilayers JL McWhirter, G Ayton, GA Voth Biophysical journal 87 (5), 3242-3263, 2004 | 67 | 2004 |