Biomolecular Adsorprion at ZnS Nanomaterials: A Molecular Dynamics Simulation Study of the Adsorption Preferences, Effects of the Surface Curvature and Coating

por Rahmani, Roja, Lyubartsev, Alexander P.
Publicado 2023

Optimization of Slipids Force Field Parameters Describing Headgroups of Phospholipids

por Grote, Fredrik, Lyubartsev, Alexander P.
Publicado 2020

Atomistic Molecular Dynamics Simulations of Lipids Near TiO(2) Nanosurfaces

por Ivanov, Mikhail, Lyubartsev, Alexander P.
Publicado 2021

Modelling of interactions between Aβ(25–35) peptide and phospholipid bilayers: effects of cholesterol and lipid saturation

por Ermilova, Inna, Lyubartsev, Alexander P.
Publicado 2020

Ab Initio Derived Classical Force Field for Molecular Dynamics Simulations of ZnO Surfaces in Biological Environment

por Saeedimasine, Marzieh, Grote, Fredrik, Lyubartsev, Alexander P.
Publicado 2023

Coarse-Grained Modeling Using Neural Networks Trained on Structural Data

por Ivanov, Mikhail, Posysoev, Maksim, Lyubartsev, Alexander P.
Publicado 2023

Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids

por Jämbeck, Joakim P. M., Lyubartsev, Alexander P.
Publicado 2012

A systematic analysis of nucleosome core particle and nucleosome-nucleosome stacking structure

por Korolev, Nikolay, Lyubartsev, Alexander P., Nordenskiöld, Lars
Publicado 2018

Effect of lipid saturation on amyloid-beta peptide partitioning and aggregation in neuronal membranes: molecular dynamics simulations

por Ntarakas, Nikolaos, Ermilova, Inna, Lyubartsev, Alexander P.
Publicado 2019

Atomistic Perspective on Biomolecular Adsorption on Functionalized Carbon Nanomaterials under Ambient Conditions

por Saeedimasine, Marzieh, Brandt, Erik G., Lyubartsev, Alexander P.
Publicado 2020

An Advanced Coarse-Grained Nucleosome Core Particle Model for Computer Simulations of Nucleosome-Nucleosome Interactions under Varying Ionic Conditions

por Fan, Yanping, Korolev, Nikolay, Lyubartsev, Alexander P., Nordenskiöld, Lars
Publicado 2013

Unperturbed hydrocarbon chains and liquid phase bilayer lipid chains: a computer simulation study

por Rabinovich, Alexander L., Lyubartsev, Alexander P., Zhurkin, Dmitrii V.
Publicado 2017

Implicit solvent systematic coarse-graining of dioleoylphosphatidylethanolamine lipids: From the inverted hexagonal to the bilayer structure

por Mortezazadeh, Saeed, Jamali, Yousef, Naderi-Manesh, Hossein, Lyubartsev, Alexander P.
Publicado 2019

Coarse-Grained Simulation of Rodlike Higher-Order Quadruplex Structures at Different Salt Concentrations

por Rebič, Matúš, Mocci, Francesca, Uličný, Jozef, Lyubartsev, Alexander P., Laaksonen, Aatto
Publicado 2017

A multiscale analysis of DNA phase separation: from atomistic to mesoscale level

por Sun, Tiedong, Mirzoev, Alexander, Minhas, Vishal, Korolev, Nikolay, Lyubartsev, Alexander P, Nordenskiöld, Lars
Publicado 2019

Bottom-Up Coarse-Grained Modeling of DNA

por Sun, Tiedong, Minhas, Vishal, Korolev, Nikolay, Mirzoev, Alexander, Lyubartsev, Alexander P., Nordenskiöld, Lars
Publicado 2021

A Bottom-Up Coarse-Grained Model for Nucleosome–Nucleosome Interactions with Explicit Ions

por Sun, Tiedong, Minhas, Vishal, Mirzoev, Alexander, Korolev, Nikolay, Lyubartsev, Alexander P., Nordenskiöld, Lars
Publicado 2022

Structural investigation of three distinct amorphous forms of Ar hydrate

por Brant Carvalho, Paulo H. B., Moraes, Pedro Ivo R., Leitão, Alexandre A., Andersson, Ove, Tulk, Chris A., Molaison, Jamie, Lyubartsev, Alexander P., Häussermann, Ulrich
Publicado 2021