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Polarizable water model for the coarse-grained MARTINI force field

PLoS computational biology, 2010-06, Vol.6 (6), p.e1000810-e1000810

2010

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The influence of curvature on the properties of the plasma membrane. Insights from atomistic molecular dynamics simulations

Scientific reports, 2017-11, Vol.7 (1), p.16078-13, Article 16078

2017

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The asymmetry of plasma membranes and their cholesterol content influence the uptake of cisplatin

Scientific reports, 2019-04, Vol.9 (1), p.5627-5627, Article 5627

2019

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Pteros 2.0: Evolution of the fast parallel molecular analysis library for C++ and python

Journal of computational chemistry, 2015-07, Vol.36 (19), p.1480-1488

Yesylevskyy, Semen O.

2015

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Low-Density Lipoproteins and Human Serum Albumin as Carriers of Squalenoylated Drugs: Insights from Molecular Simulations

Molecular pharmaceutics, 2018-02, Vol.15 (2), p.585-591

2018

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Curvature increases permeability of the plasma membrane for ions, water and the anti-cancer drugs cisplatin and gemcitabine

Scientific reports, 2019-11, Vol.9 (1), p.17214-8, Article 17214

2019

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Pteros: Fast and easy to use open-source C++ library for molecular analysis

Journal of computational chemistry, 2012-07, Vol.33 (19), p.1632-1636

Yesylevskyy, Semen O.

2012

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Structures of single, double and triple layers of lipids adsorbed on graphene: Insights from all-atom molecular dynamics simulations

Carbon (New York), 2017-07, Vol.118 (1), p.358-369

2017

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Stacking as a Key Property for Creating Nanoparticles with Tunable Shape: The Case of Squalenoyl-Doxorubicin

ACS nano, 2019-11, Vol.13 (11), p.12870-12879

2019

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Conjugation of squalene to gemcitabine as unique approach exploiting endogenous lipoproteins for drug delivery

Nature communications, 2017-05, Vol.8 (1), p.15678-15678, Article 15678

2017

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Novel coumarin derivatives as potent acetylcholinesterase inhibitors: insight into efficacy, mode and site of inhibition

Journal of biomolecular structure & dynamics, 2019-05, Vol.37 (7), p.1750-1765

2019

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Dietary polyphenols inhibit plasma protein arabinosylation: Biomolecular interaction of genistein and ellagic acid with serum albumins

Biophysical chemistry, 2021-10, Vol.277, p.106651, Article 106651

2021

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Selective Inhibition of STAT3 with Respect to STAT1: Insights from Molecular Dynamics and Ensemble Docking Simulations

Journal of chemical information and modeling, 2016-08, Vol.56 (8), p.1588-1596

2016

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Squalene versus cholesterol: Which is the best nanocarrier for the delivery to cells of the anticancer drug gemcitabine?

Comptes rendus. Chimie, 2018-10, Vol.21 (10), p.974-986

2018

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Phospholipid distribution in the cytoplasmic membrane of Gram-negative bacteria is highly asymmetric, dynamic, and cell shape-dependent

Science advances, 2020-06, Vol.6 (23), p.eaaz6333-eaaz6333

2020

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Double-exponential kinetics of binding and redistribution of the fluorescent dyes in cell membranes witness for the existence of lipid microdomains

Biochemical and biophysical research communications, 2019-01, Vol.508 (4), p.1139-1144

2019

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Membrane Environment Modulates Ligand-Binding Propensity of P2Y12 Receptor

Pharmaceutics, 2021-04, Vol.13 (4), p.524

2021

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Fluorescence Probes Exhibit Photoinduced Structural Planarization: Sensing In Vitro and In Vivo Microscopic Dynamics of Viscosity Free from Polarity Interference

ACS chemical biology, 2020-07, Vol.15 (7), p.1862-1873

2020

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How cholesterol is distributed between monolayers in asymmetric lipid membranes

European biophysics journal, 2012-12, Vol.41 (12), p.1043-1054

2012

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Interaction of C60 fullerenes with asymmetric and curved lipid membranes: a molecular dynamics study

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (1), p.278-284

2016

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Caspase-3 activation decreases lipid order in the outer plasma membrane leaflet during apoptosis: A fluorescent probe study

Biochimica et biophysica acta. Biomembranes, 2017-10, Vol.1859 (10), p.2123-2132

2017

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Therapeutic potency of substituted chromones as Alzheimer’s drug: Elucidation of acetylcholinesterase inhibitory activity through spectroscopic and molecular modelling investigation

Bioimpacts, 2019-01, Vol.9 (2), p.79-88

2019

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Cholesterol behavior in asymmetric lipid bilayers: insights from molecular dynamics simulations

Methods in molecular biology (Clifton, N.J.), 2015-01, Vol.1232, p.291

2015

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EnCurv: Simple Technique of Maintaining Global Membrane Curvature in Molecular Dynamics Simulations

Journal of chemical theory and computation, 2021-02, Vol.17 (2), p.1181-1193

2021

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Nanoscopic description of biomembrane electrostatics: results of molecular dynamics simulations and fluorescence probing

Chemistry and physics of lipids, 2009-08, Vol.160 (2), p.63-84

2009

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Polarizable water model for the coarse-grained MARTINI force field

The influence of curvature on the properties of the plasma membrane. Insights from atomistic molecular dynamics simulations

The asymmetry of plasma membranes and their cholesterol content influence the uptake of cisplatin

Pteros 2.0: Evolution of the fast parallel molecular analysis library for C++ and python

Low-Density Lipoproteins and Human Serum Albumin as Carriers of Squalenoylated Drugs: Insights from Molecular Simulations

Curvature increases permeability of the plasma membrane for ions, water and the anti-cancer drugs cisplatin and gemcitabine

Pteros: Fast and easy to use open-source C++ library for molecular analysis

Structures of single, double and triple layers of lipids adsorbed on graphene: Insights from all-atom molecular dynamics simulations

Stacking as a Key Property for Creating Nanoparticles with Tunable Shape: The Case of Squalenoyl-Doxorubicin

Conjugation of squalene to gemcitabine as unique approach exploiting endogenous lipoproteins for drug delivery

Novel coumarin derivatives as potent acetylcholinesterase inhibitors: insight into efficacy, mode and site of inhibition

Dietary polyphenols inhibit plasma protein arabinosylation: Biomolecular interaction of genistein and ellagic acid with serum albumins

Selective Inhibition of STAT3 with Respect to STAT1: Insights from Molecular Dynamics and Ensemble Docking Simulations

Squalene versus cholesterol: Which is the best nanocarrier for the delivery to cells of the anticancer drug gemcitabine?

Phospholipid distribution in the cytoplasmic membrane of Gram-negative bacteria is highly asymmetric, dynamic, and cell shape-dependent

Double-exponential kinetics of binding and redistribution of the fluorescent dyes in cell membranes witness for the existence of lipid microdomains

Membrane Environment Modulates Ligand-Binding Propensity of P2Y12 Receptor

Fluorescence Probes Exhibit Photoinduced Structural Planarization: Sensing In Vitro and In Vivo Microscopic Dynamics of Viscosity Free from Polarity Interference

How cholesterol is distributed between monolayers in asymmetric lipid membranes

Interaction of C60 fullerenes with asymmetric and curved lipid membranes: a molecular dynamics study

Caspase-3 activation decreases lipid order in the outer plasma membrane leaflet during apoptosis: A fluorescent probe study

Therapeutic potency of substituted chromones as Alzheimer’s drug: Elucidation of acetylcholinesterase inhibitory activity through spectroscopic and molecular modelling investigation

Cholesterol behavior in asymmetric lipid bilayers: insights from molecular dynamics simulations

EnCurv: Simple Technique of Maintaining Global Membrane Curvature in Molecular Dynamics Simulations

Nanoscopic description of biomembrane electrostatics: results of molecular dynamics simulations and fluorescence probing

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