New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles AP Lyubartsev, AA Martsinovski, SV Shevkunov, ...
The Journal of chemical physics 96 (3), 1776-1783, 1992
1300 1992 Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach AP Lyubartsev, A Laaksonen
Physical Review E 52 (4), 3730, 1995
1003 1995 The inhomogeneous structure of water at ambient conditions C Huang, KT Wikfeldt, T Tokushima, D Nordlund, Y Harada, U Bergmann, ...
Proceedings of the National Academy of Sciences 106 (36), 15214-15218, 2009
730 2009 Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipids JPM Jämbeck, AP Lyubartsev
The journal of physical chemistry B 116 (10), 3164-3179, 2012
595 2012 M. DynaMix–a scalable portable parallel MD simulation package for arbitrary molecular mixtures AP Lyubartsev, A Laaksonen
Computer physics communications 128 (3), 565-589, 2000
496 2000 An extension and further validation of an all-atomistic force field for biological membranes JPM Jämbeck, AP Lyubartsev
Journal of chemical theory and computation 8 (8), 2938-2948, 2012
487 2012 Concentration effects in aqueous NaCl solutions. A molecular dynamics simulation AP Lyubartsev, A Laaksonen
The Journal of Physical Chemistry 100 (40), 16410-16418, 1996
316 1996 Another piece of the membrane puzzle: extending slipids further JPM Jämbeck, AP Lyubartsev
Journal of chemical theory and computation 9 (1), 774-784, 2013
304 2013 Hydration of ab initio molecular dynamics simulation AP Lyubartsev, K Laasonen, A Laaksonen
The Journal of Chemical Physics 114 (7), 3120-3126, 2001
269 2001 Molecular dynamics simulations of dimethyl sulfoxide and dimethyl sulfoxide− water mixture A Vishnyakov, AP Lyubartsev, A Laaksonen
The Journal of Physical Chemistry A 105 (10), 1702-1710, 2001
267 2001 Theoretical approximations to X-ray absorption spectroscopy of liquid water and ice M Leetmaa, MP Ljungberg, A Lyubartsev, A Nilsson, LGM Pettersson
Journal of Electron Spectroscopy and Related Phenomena 177 (2), 135-157, 2010
191 2010 Multiscale modeling of lipids and lipid bilayers AP Lyubartsev
European Biophysics Journal 35 (1), 53-61, 2005
191 2005 Systematic coarse-graining of molecular models by the Newton inversion method A Lyubartsev, A Mirzoev, LJ Chen, A Laaksonen
Faraday discussions 144, 43-56, 2010
184 2010 Recent development in computer simulations of lipid bilayers AP Lyubartsev, AL Rabinovich
Soft Matter 7 (1), 25-39, 2011
174 2011 New six‐site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures AM Nikitin, AP Lyubartsev
Journal of computational chemistry 28 (12), 2020-2026, 2007
174 2007 Osmotic and activity coefficients from effective potentials for hydrated ions AP Lyubartsev, A Laaksonen
Physical Review E 55 (5), 5689, 1997
167 1997 Monte Carlo simulation study of ion distribution and osmotic pressure in hexagonally oriented DNA AP Lyubartsev, L Nordenskiöld
The Journal of Physical Chemistry 99 (25), 10373-10382, 1995
147 1995 On the competition between water, sodium ions, and spermine in binding to DNA: a molecular dynamics computer simulation study N Korolev, AP Lyubartsev, A Laaksonen, L Nordenskiöld
Biophysical journal 82 (6), 2860-2875, 2002
140 2002 Toward atomistic resolution structure of phosphatidylcholine headgroup and glycerol backbone at different ambient conditions A Botan, F Favela-Rosales, PFJ Fuchs, M Javanainen, M Kanduč, ...
The Journal of Physical Chemistry B 119 (49), 15075-15088, 2015
139 2015 Competitive binding of Mg 2+, Ca 2+, Na+, and K+ ions to DNA in oriented DNA fibers: experimental and Monte Carlo simulation results N Korolev, AP Lyubartsev, A Rupprecht, L Nordenskiöld
Biophysical journal 77 (5), 2736-2749, 1999
137 1999 