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List of works by Maria Kurnikova

A Hierarchical Approach to Predict Conformation-Dependent Histidine Protonation States in Stable and Flexible Proteins

scientific article published on 07 June 2019

A lattice relaxation algorithm for three-dimensional Poisson-Nernst-Planck theory with application to ion transport through the gramicidin A channel.

scientific article published on February 1999

AMPA Receptor Noncompetitive Inhibitors Occupy a Promiscuous Binding Site

scientific article published on 24 October 2019

All atom NMDA receptor transmembrane domain model development and simulations in lipid bilayers and water.

scientific article

An online approach for mining collective behaviors from molecular dynamics simulations

scientific article published on 01 March 2010

Baseline Comparisons of Complementary Sampling Methods for Assembly Driven by Short-Ranged Pair Potentials toward Fast and Flexible Hybridization

scientific article published on 13 February 2021

Characterizing the energetic states of the GluR2 ligand binding domain core-dimer.

scientific article published on January 2011

Configurational Preference of the Glutamate Receptor Ligand Binding Domain Dimers

scientific article published in June 2017

Crosslinking constraints and computational models as complementary tools in modeling the extracellular domain of the glycine receptor

scientific article (publication date: 2014)

Diffusion constant of K+ inside Gramicidin A: a comparative study of four computational methods.

scientific article published on 6 April 2006

Energetics of the cleft closing transition and the role of electrostatic interactions in conformational rearrangements of the glutamate receptor ligand binding domain.

scientific article

Epoxidation Catalyzed by the Nonheme Iron(II)- and 2-Oxoglutarate-Dependent Oxygenase, AsqJ: Mechanistic Elucidation of Oxygen Atom Transfer by a Ferryl Intermediate

scientific article published on 16 March 2020

Exploring Protein Stability by Comparative Molecular Dynamics Simulations of Homologous Hyperthermophilic, Mesophilic, and Psychrophilic Proteins.

scientific article published on 26 September 2016

Flexibility and mobility in mesophilic and thermophilic homologous proteins from molecular dynamics and FoldUnfold method.

scientific article published in June 2010

Homology modeling and molecular dynamics simulations of the glycine receptor ligand binding domain

scientific article

Insights into the Desaturation of Cyclopeptin and its C3 Epimer Catalyzed by a non-Heme Iron Enzyme: Structural Characterization and Mechanism Elucidation

scientific article published on 3 January 2018

Membrane Association of the Diphtheria Toxin Translocation Domain Studied by Coarse-Grained Simulations and Experiment

scientific article published on 4 February 2015

Membrane Position Dependency of the pKa and Conductivity of the Protein Ion Channel

scientific article

Microsecond Simulations of the Diphtheria Toxin Translocation Domain in Association with Anionic Lipid Bilayers

scientific article published on 24 August 2015

Modeling Electronic Polarizability Changes in the Course of a Magnesium Ion Water Ligand Exchange Process

scientific article (publication date: 13 August 2015)

Modeling of peptides connecting the ligand-binding and transmembrane domains in the GluR2 glutamate receptor.

scientific article published on August 2009

Molecular mechanisms of bio-catalysis of heme extraction from hemoglobin

scientific article

Opening of glutamate receptor channel to subconductance levels

scientific article published on 20 April 2022

Poisson-Nernst-Planck theory approach to the calculation of current through biological ion channels

scientific article published in March 2005

Protein flexibility using constraints from molecular dynamics simulations.

scientific article

Protein stability and dynamics influenced by ligands in extremophilic complexes - a molecular dynamics investigation.

scientific article published on 24 July 2017

Role of acidic residues in helices TH8-TH9 in membrane interactions of the diphtheria toxin T domain.

scientific article published on 14 April 2015

Role of the Ion Channel Extracellular Collar in AMPA Receptor Gating

scientific article

Soft Wall Ion Channel in Continuum Representation with Application to Modeling Ion Currents in α-Hemolysin ⬇️

scientific article published on October 28, 2010

Stability and rigidity/flexibility-two sides of the same coin?

scientific article

Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs

scientific article published on 3 September 2016

Structural Basis for NHERF1 PDZ Domain Binding ⬇️

scientific article published on March 27, 2012

Targeting electrostatic interactions in accelerated molecular dynamics with application to protein partial unfolding.

scientific article

The Hydrophobic Effect Contributes to the Closed State of a Simplified Ion Channel through a Conserved Hydrophobic Patch at the Pore-Helix Crossing

scientific article

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