Encyclopedia of nanoscience and nanotechnology T Lin, X Wang American Scientific, Los Angeles, Calif, USA,, 2011 | 1821* | 2011 |

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 | 1153 | 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 | 759 | 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 | 578 | 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 | 416 | 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 | 398 | 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 | 324 | 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 | 257 | 1996 |

Hydration of ion. An *ab initio* molecular dynamics simulationAP Lyubartsev, K Laasonen, A Laaksonen The Journal of Chemical Physics 114 (7), 3120-3126, 2001 | 220 | 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 | 204 | 2001 |

Another piece of the membrane puzzle: extending slipids further JPM Jämbeck, AP Lyubartsev Journal of chemical theory and computation 9 (1), 774-784, 2013 | 197 | 2013 |

Multiscale modeling of lipids and lipid bilayers AP Lyubartsev European Biophysics Journal 35 (1), 53, 2005 | 169 | 2005 |

Recent development in computer simulations of lipid bilayers AP Lyubartsev, AL Rabinovich Soft Matter 7 (1), 25-39, 2011 | 147 | 2011 |

Osmotic and activity coefficients from effective potentials for hydrated ions AP Lyubartsev, A Laaksonen Physical Review E 55 (5), 5689, 1997 | 146 | 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 | 143 | 1995 |

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 | 138 | 2010 |

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 | 133 | 2010 |

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 | 122 | 2002 |

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 | 120 | 2007 |

On coarse-graining by the inverse monte carlo method: Dissipative particle dynamics simulations made to a precise tool in soft matter modeling AP Lyubartsev, M Karttunen, I Vattulainen, A Laaksonen Soft Materials 1 (1), 121-137, 2002 | 117 | 2002 |