Alexander Lyubartsev
Orcid: 0000-0002-9390-5719
According to our database1,
Alexander Lyubartsev
authored at least 10 papers
between 1998 and 2021.
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Bibliography
2021
To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MC.
J. Comput. Chem., 2021
2020
Improved Sampling in Ab Initio Free Energy Calculations of Biomolecules at Solid-Liquid Interfaces: Tight-Binding Assessment of Charged Amino Acids on TiO2 Anatase (101).
Comput., 2020
2019
Magic v.3: An integrated software package for systematic structure-based coarse-graining.
Comput. Phys. Commun., 2019
2015
Binding energy calculations for hevein-carbohydrate interactions using expanded ensemble molecular dynamics simulations.
J. Comput. Aided Mol. Des., 2015
2014
Systematic implicit solvent coarse graining of dimyristoylphosphatidylcholine lipids.
J. Comput. Chem., 2014
2013
J. Comput. Chem., 2013
2008
J. Comput. Chem., 2008
2007
New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures.
J. Comput. Chem., 2007
2000
Spatial Distribution Functions As a Tool in the Analysis of Ribonucleic Acids Hydration - Molecular Dynamics Studies.
Comput. Chem., 2000
1998
Proceedings of the Applied Parallel Computing, 1998