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Alexander Lyubartsev
Alexander Lyubartsev
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Cited by
Cited by
Year
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
12881992
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
9741995
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
7032009
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
5612012
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
4712000
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
4512012
Concentration effects in aqueous NaCl solutions. A molecular dynamics simulation
AP Lyubartsev, A Laaksonen
The Journal of Physical Chemistry 100 (40), 16410-16418, 1996
3051996
Another piece of the membrane puzzle: extending slipids further
JPM Jämbeck, AP Lyubartsev
Journal of chemical theory and computation 9 (1), 774-784, 2013
2802013
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
2592001
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
2552001
Multiscale modeling of lipids and lipid bilayers
AP Lyubartsev
European Biophysics Journal 35 (1), 53-61, 2005
1882005
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
1822010
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
1772010
Recent development in computer simulations of lipid bilayers
AP Lyubartsev, AL Rabinovich
Soft Matter 7 (1), 25-39, 2011
1722011
Osmotic and activity coefficients from effective potentials for hydrated ions
AP Lyubartsev, A Laaksonen
Physical Review E 55 (5), 5689, 1997
1621997
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
1592007
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
1461995
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
1382002
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
1362015
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
1291999
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