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List of works by Semen O. Yesylevskyy

Albumin-driven disassembly of lipidic nanoparticles: the specific case of the squalene-adenosine nanodrug

scientific article published on 21 January 2020

Approximation of super-ions for single-file diffusion of multiple ions through narrow pores

scientific article

Asymmetric structure and domain binding interfaces of human tyrosyl-tRNA synthetase studied by molecular dynamics simulations

scientific article published on 01 February 2013

Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets

scientific article published in 2024

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

scientific article published on 04 August 2017

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

scientific article published on 01 January 2015

Cholesterol induces uneven curvature of asymmetric lipid bilayers.

scientific article published on 16 May 2013

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

scientific article

Determination of mean and Gaussian curvatures of highly curved asymmetric lipid bilayers: the case study of the influence of cholesterol on the membrane shape

scientific article published on 01 August 2014

Determination of the shape and curvature of nonplanar lipid bilayers that are bent in a single plane in molecular dynamics simulations

scientific article published on 28 March 2014

Dynamic protein domains: identification, interdependence, and stability

scientific article

Efficiency of the monofunctionalized C60 fullerenes as membrane targeting agents studied by all-atom molecular dynamics simulations

scientific article published in August 2013

Empirical force field for cisplatin based on quantum dynamics data: case study of new parameterization scheme for coordination compounds

scientific article

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

scientific article published on 29 January 2021

Experimental and simulation studies of unusual current blockade induced by translocation of small oxidized PEG through a single nanopore

scientific article published on 01 September 2014

Hierarchical clustering of the correlation patterns: new method of domain identification in proteins.

scientific article published on 25 August 2005

Hierarchy of motions and quasi-particles in a simplified model of potassium channel selectivity filter

scientific article published on June 2004

How cholesterol is distributed between monolayers in asymmetric lipid membranes

scientific article published on 09 October 2012

Identifying the hierarchy of dynamic domains in proteins using the data of molecular dynamics simulations

scientific article

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

scientific article published on 26 November 2015

Interdomain compactization in human tyrosyl-tRNA synthetase studied by the hierarchical rotations technique

scientific article published on 22 January 2011

Is the mobility of the pore walls and water molecules in the selectivity filter of KcsA channel functionally important?

scientific article published on 28 February 2008

Low density lipoproteins and human serum albumin as the carriers of squalenoylated drugs: insights from molecular simulations.

scientific article published on 4 January 2018

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

scientific article published on 27 May 2009

Novel Coumarin Derivatives as Potent Acetylcholinesterase Inhibitors: Insight into Efficacy, Mode and Site of Inhibition.

scientific article published on 17 April 2018

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

scientific article published on 03 June 2020

Picosecond Solvation Dynamics in Nanoconfinement: Role of Water and Host-Guest Complexation

scientific article published on 27 March 2018

Polarizable water model for the coarse-grained MARTINI force field

scientific article

ProtSqueeze: simple and effective automated tool for setting up membrane protein simulations

scientific article published on 25 July 2007

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

scientific article published on 14 May 2015

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

scientific article

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

scientific article published in August 2016

Shape-independent model (SHIM) approach for studying aggregation by NMR diffusometry

scientific article published on March 2015

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

scientific article published on 15 October 2019

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

scientific article published on 04 April 2019

The blind search for the closed states of hinge-bending proteins.

scientific article published in May 2008

The change of protein intradomain mobility on ligand binding: is it a commonly observed phenomenon?

scientific article

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

scientific article published on 22 November 2017

Theory of single-file multiparticle diffusion in narrow pores

scientific article

Towards realistic description of collective motions in the lattice protein folding models.

scientific article published in April 2004

Tuning excited-state proton transfer dynamics of a 3-hydroxychromone dye in supramolecular complexes via host-guest steric compatibility

scientific article published on 01 January 2014

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