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ORCIDAlexander Lyubartsev 0001
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- affiliation: Stockholm University, Department of Materials and Environmental Chemistry, Sweden
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2020 – today
- 2024
[j11]Mikhail Ivanov
, Alexander P. Lyubartsev:
Development of a bottom-up coarse-grained model for interactions of lipids with TiO 2 nanoparticles. J. Comput. Chem. 45(16): 1364-1379 (2024)- [j10]Marzieh Saeedimasine, Roja Rahmani, Alexander P. Lyubartsev:
Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning. J. Chem. Inf. Model. 64(9): 3799-3811 (2024) - 2021
- [j9]Alexei M. Nikitin, Vladislava Milchevskaya, Alexander Lyubartsev:
To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MC. J. Comput. Chem. 42(11): 787-792 (2021) - 2020
- [j8]Lorenzo Agosta, Erik G. Brandt, Alexander Lyubartsev:
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. 8(1): 12 (2020)
2010 – 2019
- 2019
- [j7]Alexander Mirzoev, Lars Nordenskiöld, Alexander Lyubartsev:
Magic v.3: An integrated software package for systematic structure-based coarse-graining. Comput. Phys. Commun. 237: 263-273 (2019) - 2015
- [j6]Chaitanya A. K. Koppisetty, Martin Frank, Alexander Lyubartsev, Per-Georg Nyholm:
Binding energy calculations for hevein-carbohydrate interactions using expanded ensemble molecular dynamics simulations. J. Comput. Aided Mol. Des. 29(1): 13-21 (2015) - 2014
- [j5]Alexander Mirzoev, Alexander Lyubartsev:
Systematic implicit solvent coarse graining of dimyristoylphosphatidylcholine lipids. J. Comput. Chem. 35(16): 1208-1218 (2014) - 2013
- [j4]Joakim P. M. Jämbeck, Francesca Mocci, Alexander Lyubartsev, Aatto Laaksonen:
Partial atomic charges and their impact on the free energy of solvation. J. Comput. Chem. 34(3): 187-197 (2013)
2000 – 2009
- 2008
- [j3]Carl-Johan Högberg, Alexei M. Nikitin, Alexander Lyubartsev:
Modification of the CHARMM force field for DMPC lipid bilayer. J. Comput. Chem. 29(14): 2359-2369 (2008) - 2007
- [j2]Alexei M. Nikitin, Alexander Lyubartsev:
New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures. J. Comput. Chem. 28(12): 2020-2026 (2007) - 2000
- [j1]Katarzyna Kulinska, Tadeusz Kulinski, Alexander Lyubartsev, Aatto Laaksonen, Ryszard W. Adamiak:
Spatial Distribution Functions As a Tool in the Analysis of Ribonucleic Acids Hydration - Molecular Dynamics Studies. Comput. Chem. 24(3-4): 451-457 (2000)
1990 – 1999
- 1998
- [c1]Alexander Lyubartsev, Aatto Laaksonen:
Parallel Molecular Dynamics Simulations of Biomolecular Systems. PARA 1998: 296-303
Coauthor Index
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