Multiscale simulation of soft matter: From scale bridging to adaptive resolution M Praprotnik, LD Site, K Kremer Annu. Rev. Phys. Chem. 59 (1), 545-571, 2008 | 539 | 2008 |
Adaptive resolution molecular-dynamics simulation: Changing the degrees of freedom on the fly M Praprotnik, L Delle Site, K Kremer The Journal of chemical physics 123 (22), 2005 | 482 | 2005 |
Temperature dependence of water vibrational spectrum: a molecular dynamics simulation study M Praprotnik, D Janežič, J Mavri The Journal of Physical Chemistry A 108 (50), 11056-11062, 2004 | 198 | 2004 |
Adaptive resolution scheme for efficient hybrid atomistic-mesoscale molecular dynamics simulations of dense liquids M Praprotnik, L Delle Site, K Kremer Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 73 (6 …, 2006 | 169 | 2006 |
Adaptive resolution simulation of liquid water M Praprotnik, S Matysiak, L Delle Site, K Kremer, C Clementi Journal of Physics: Condensed Matter 19 (29), 292201, 2007 | 162 | 2007 |
Transport properties controlled by a thermostat: An extended dissipative particle dynamics thermostat C Junghans, M Praprotnik, K Kremer Soft Matter 4 (1), 156-161, 2008 | 157 | 2008 |
Coupling different levels of resolution in molecular simulations S Poblete, M Praprotnik, K Kremer, L Delle Site The Journal of chemical physics 132 (11), 2010 | 138 | 2010 |
Concurrent triple-scale simulation of molecular liquids R Delgado-Buscalioni, K Kremer, M Praprotnik The Journal of chemical physics 128 (11), 2008 | 135 | 2008 |
Molecular dynamics integration and molecular vibrational theory. III. The infrared spectrum of water M Praprotnik, D Janežič The Journal of chemical physics 122 (17), 2005 | 125 | 2005 |
A macromolecule in a solvent: Adaptive resolution molecular dynamics simulation M Praprotnik, L Delle Site, K Kremer The Journal of chemical physics 126 (13), 2007 | 120 | 2007 |
Adaptive resolution simulation of an atomistic protein in MARTINI water J Zavadlav, MN Melo, SJ Marrink, M Praprotnik The Journal of chemical physics 140 (5), 2014 | 99 | 2014 |
Coupling atomistic and continuum hydrodynamics through a mesoscopic model: Application to liquid water R Delgado-Buscalioni, K Kremer, M Praprotnik The Journal of chemical physics 131 (24), 2009 | 98 | 2009 |
Modeling diffusive dynamics in adaptive resolution simulation of liquid water S Matysiak, C Clementi, M Praprotnik, K Kremer, L Delle Site The Journal of chemical physics 128 (2), 2008 | 92 | 2008 |
ENZO: a web tool for derivation and evaluation of kinetic models of enzyme catalyzed reactions S Bevc, J Konc, J Stojan, M Hodošček, M Penca, M Praprotnik, D Janežič PLoS One 6 (7), e22265, 2011 | 87 | 2011 |
Molecular systems with open boundaries: Theory and simulation L Delle Site, M Praprotnik Physics Reports 693, 1-56, 2017 | 82 | 2017 |
Adaptive molecular resolution via a continuous change of the phase space dimensionality M Praprotnik, K Kremer, L Delle Site Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 75 (1 …, 2007 | 76 | 2007 |
Molecular dynamics integration and molecular vibrational theory. I. New symplectic integrators D Janežič, M Praprotnik, F Merzel The Journal of chemical physics 122 (17), 2005 | 67 | 2005 |
Adaptive resolution simulation of MARTINI solvents J Zavadlav, MN Melo, AV Cunha, AH De Vries, SJ Marrink, M Praprotnik Journal of Chemical Theory and Computation 10 (6), 2591-2598, 2014 | 65 | 2014 |
Adaptive resolution simulation of a DNA molecule in salt solution J Zavadlav, R Podgornik, M Praprotnik Journal of chemical theory and computation 11 (10), 5035-5044, 2015 | 62 | 2015 |
Open boundary molecular dynamics R Delgado-Buscalioni, J Sablić, M Praprotnik The European Physical Journal Special Topics 224 (12), 2331-2349, 2015 | 59 | 2015 |