| 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 | 1298 | 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 | 992 | 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 | 714 | 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 | 573 | 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 | 476 | 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 | 467 | 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 | 309 | 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 | 290 | 2013 |
| 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 | 265 | 2001 |
| Hydration of ion. An ab initio molecular dynamics simulation AP Lyubartsev, K Laasonen, A Laaksonen The Journal of Chemical Physics 114 (7), 3120-3126, 2001 | 261 | 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 | 189 | 2010 |
| Multiscale modeling of lipids and lipid bilayers AP Lyubartsev European Biophysics Journal 35 (1), 53-61, 2005 | 189 | 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 | 183 | 2010 |
| Recent development in computer simulations of lipid bilayers AP Lyubartsev, AL Rabinovich Soft Matter 7 (1), 25-39, 2011 | 172 | 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 | 169 | 2007 |
| Osmotic and activity coefficients from effective potentials for hydrated ions AP Lyubartsev, A Laaksonen Physical Review E 55 (5), 5689, 1997 | 164 | 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 | 146 | 1995 |
| 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 | 138 | 2015 |
| 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 | 138 | 2002 |
| Exploring the free energy landscape of solutes embedded in lipid bilayers JPM Jämbeck, AP Lyubartsev The journal of physical chemistry letters 4 (11), 1781-1787, 2013 | 130 | 2013 |
