Alexander Lyubartsev

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Stockholm University

Sweden

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Recent Grants

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Advanced Computer Simulation Methods for Predictive Molecular Modeling

Open Date: 2014-01-01

Close Date: 2017-12-31

Grant: Close

Advanced Computer Simulations of Biomolecular Systems

Open Date: 2011-01-01

Close Date: 2013-12-31

Articles (14)

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2024

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2024

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2024

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2024

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2023

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2023

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2023

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2023

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2022

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2022

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2022

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2021

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2021

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2021

Collaborators (7)

Lennart Bergström

Stockholm University

SWEDEN

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Sergey Dvinskikh

KTH Royal Institute of Technology

SWEDEN

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Leonard Blaschek

Københavns Universitet

DENMARK

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Kersti Hermansson

Uppsala University

SWEDEN

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Lorenzo Agosta

Uppsala University

SWEDEN

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Andrew J. Pell

Université Claude Bernard Lyon 1

FRANCE

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Edouard Pesquet

Associate-Professor / Universitetslektor

Stockholm University

SWEDEN

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Alexander Lyubartsev

Research Interests

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Recent Grants

Articles (14)

Adsorption of Glycine on TiO2 in Water from On-the-fly Free-Energy Calculations and In Situ Electrochemical Impedance Spectroscopy

Exploring Carbamazepine Polymorph Crystal Growth in Water by Enhanced Sampling Simulations

Development of a bottom‐up coarse‐grained model for interactions of lipids with TiO 2 nanoparticles

Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning

Phase equilibrium, dynamics and rheology of phospholipid–ethanol mixtures: a combined molecular dynamics, NMR and viscometry study

Coarse-Grained Modeling Using Neural Networks Trained on Structural Data

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

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

Plant biomechanics and resilience to environmental changes are controlled by specific lignin chemistries in each vascular cell type and morphotype

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

Water structure, dynamics and reactivity on a TiO2-nanoparticle surface: new insights from ab initio molecular dynamics

Atomistic Molecular Dynamics Simulations of Lipids Near TiO2 Nanosurfaces

To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MC

Computational insight into the hydrogenation of CO2 and carbamic acids to methanol by a ruthenium(II)-based catalyst: The role of amino (NH) ligand group

Collaborators (7)

Lennart Bergström

Sergey Dvinskikh

Leonard Blaschek

Kersti Hermansson

Lorenzo Agosta

Andrew J. Pell

Edouard Pesquet

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