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Scientific Reports|July 24, 2025
Uncovering sequence effects in Titanium binding peptides adsorption on TiO2: A molecular dynamics studyRoja Rahmani, Alexander P LyubartsevNanomaterials (Basel, Switzerland)|August 12, 2023
Biomolecular Adsorprion at ZnS Nanomaterials: A Molecular Dynamics Simulation Study of the Adsorption Preferences, Effects of the Surface Curvature and CoatingRoja Rahmani, Alexander P LyubartsevJournal of Chemical Information and Modeling|April 16, 2024
Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine LearningMarzieh Saeedimasine, Roja Rahmani, Alexander P LyubartsevEuropean Biophysics Journal : EBJ|September 1, 2005
Multiscale modeling of lipids and lipid bilayersAlexander P LyubartsevRSC Advances|May 2, 2022
Modelling of interactions between Aβ(25-35) peptide and phospholipid bilayers: effects of cholesterol and lipid saturationInna Ermilova, Alexander P LyubartsevSoft Matter|December 7, 2018
Cholesterol in phospholipid bilayers: positions and orientations inside membranes with different unsaturation degreesInna Ermilova, Alexander P LyubartsevThe Journal of Physical Chemistry. B|September 14, 2020
Optimization of Slipids Force Field Parameters Describing Headgroups of PhospholipidsFredrik Grote, Alexander P LyubartsevThe Journal of Physical Chemistry. B|July 16, 2021
Atomistic Molecular Dynamics Simulations of Lipids Near TiO2 NanosurfacesMikhail Ivanov, Alexander P LyubartsevPhysical Chemistry Chemical Physics : PCCP|February 12, 2011
Effective solvent mediated potentials of Na+ and Cl- ions in aqueous solution: temperature dependenceAlexander Mirzoev, Alexander P LyubartsevPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|May 15, 2002
Evaluation of effective ion-ion potentials in aqueous electrolytesAlexander P Lyubartsev, Stjepan MarceljaPageof 9