V. Luzhkov

发表

Ligand binding affinities from MD simulations.

J. Åqvist, V. Luzhkov, B. Brandsdal, 2002, Accounts of chemical research.

Influence of the nature of solvent and substituents on the oxidation potential of 2,2,6,6-tetramethylpiperidine 1-oxyl derivatives

V. Luzhkov, A. Mendkovich, M. Syroeshkin, 2017, Russian Chemical Bulletin.

Free energy calculations and ligand binding.

Martin Almlöf, J. Åqvist, V. Luzhkov, 2003, Advances in protein chemistry.

Virtual screening and bioassay study of novel inhibitors for dengue virus mRNA cap (nucleoside-2'O)-methyltransferase.

V. Luzhkov, E. Decroly, A. Karlén, 2007, Bioorganic & medicinal chemistry.

Quantum chemical calculations of the pKa of C60H2 in DMSO, toluene—DMSO mixture, and water

V. Luzhkov, 2014, Russian Chemical Bulletin.

Ion permeation mechanism of the potassium channel

V. Luzhkov, J. Åqvist, Johan Åqvist, 2000, Nature.

On relation between the free-energy perturbation and Bennett's acceptance ratio methods: Tracing the influence of the energy gap.

V. Luzhkov, 2010, The Journal of chemical physics.

Chapter 7 – Computational enzymology: Protein tyrosine phosphatase reactions

J. Åqvist, V. Luzhkov, K. Kolmodin, 2001 .

Computer Modeling of Phenyl Acetate Hydrolysis in Water and in Reaction with .beta.-Cyclodextrin: Molecular Orbital Calculations with the Semiempirical AM1 Method and the Langevin Dipole Solvent Model

V. Luzhkov, C. Venanzi, 1995 .

Free-energy perturbation calculations of binding and transition-state energies: hydrolysis of phenyl esters by β-cyclodextrin

J. Åqvist, V. Luzhkov, 1999 .

Decomposition of dinitrosyl iron complex with thioformaldehyde ligands in water: reaction mechanisms and the role of chemical hardness of ligands

V. Luzhkov, S. Aldoshin, N. Sanina, 2022, Mendeleev Communications.

Effect of albumin on the transformation of dinitrosyl iron complexes with thiourea ligands.

V. Luzhkov, S. Aldoshin, N. Emel'yanova, 2020, Dalton transactions.

Quantum chemical calculations of the one-electron oxidation potential of nitroxide spin labels in biologically active compounds

V. Luzhkov, V. Sen', V. Krapivin, 2019, Chemical Physics.

Computational modelling of the open-state Kv 1.5 ion channel block by bupivacaine.

J. Åqvist, V. Luzhkov, P. Århem, 2003, Biochimica et biophysica acta.

Novel Type of Tetranitrosyl Iron Salt: Synthesis, Structure and Antibacterial Activity of Complex [FeL’2(NO)2][FeL’L”(NO)2] with L’-thiobenzamide and L”-thiosulfate

V. Luzhkov, P. Dorovatovskii, S. Aldoshin, 2022, Molecules.

Quantum calculations of acidity constants of hydro[60]fullerenes in DMSO

V. Luzhkov, A. I. Kotel’nikov, 2015 .

Mechanisms of antioxidant activity: The DFT study of hydrogen abstraction from phenol and toluene by the hydroperoxyl radical

V. Luzhkov, 2005 .

Theoretical study of deuterium kinetic isotope effect in peroxidation of phenol and toluene

V. Luzhkov, 2005 .

Membrane Permeability of Modified Butyltriphenylphosphonium Cations

V. Luzhkov, Y. Antonenko, T. Rokitskaya, 2022, The Journal of Physical Chemistry B.

Effect of methyl and halogen substituents on the transmembrane movement of lipophilic ions.

V. Luzhkov, Y. Antonenko, T. Rokitskaya, 2019, Physical chemistry chemical physics : PCCP.

Lipophylic ion aromaticity is not important for permeability across lipid membranes.

V. Luzhkov, Y. Antonenko, E. Kotova, 2020, Biochimica et biophysica acta. Biomembranes.

Quantum chemical calculations of the dissociation constants pKa for l-Ala-C60H (an amino acid derivative of fullerene) in water

V. Luzhkov, V. Romanova, A. I. Kotel’nikov, 2014, Russian Chemical Bulletin.

Quantum chemical calculations of the molecular structures of hybrid amino acid derivatives of fullerene C60

V. Luzhkov, T. Dolinina, 2012, Russian Chemical Bulletin.

Structural and biochemical analysis of human pathogenic astrovirus serine protease at 2.0 A resolution.

V. Luzhkov, B. Coutard, A. Mattevi, 2009, Journal of molecular biology.

Molecular dynamics and static solvation studies of amiloride

R. Zauhar, V. Luzhkov, T. Venanzi, 1994 .

Quantum chemical calculations of hydration electrostatics and electrochemical oxidation potential of cyclic nitroxide radicals

V. Luzhkov, V. Sen', V. Krapivin, 2019, Mendeleev Communications.

Evaluation of Adamantane Derivatives as Inhibitors of Dengue Virus mRNA Cap Methyltransferase by Docking and Molecular Dynamics Simulations

J. Åqvist, V. Luzhkov, E. Decroly, 2013, Molecular informatics.

Computational and NMR study of quaternary ammonium ion conformations in solution

Jyoti Chattopadhyaya, Johan Åqvist, Victor B. Luzhkov, 2002 .

Computer Simulation of Primary Kinetic Isotope Effects in the Proposed Rate-limiting Step of the Glyoxalase I Catalyzed Reaction*

V. Luzhkov, I. Feierberg, Isabella Feierberg, 2000, The Journal of Biological Chemistry.

Mechanisms of tetraethylammonium ion block in the KcsA potassium channel

V. Luzhkov, J. Åqvist, 2001, FEBS letters.

Empirical valence bond study of radical reactions: hydrogen atom transfer in peroxidation of phenol

Victor B. Luzhkov, V. Luzhkov, 2001 .

Structure–activity relationship for extracellular block of K+ channels by tetraalkylammonium ions

F. Österberg, V. Luzhkov, J. Åqvist, 2003, FEBS letters.

Ions and blockers in potassium channels: insights from free energy simulations.

V. Luzhkov, J. Åqvist, 2005, Biochimica et biophysica acta.

Ligand binding to the voltage-gated Kv1.5 potassium channel in the open state--docking and computer simulations of a homology model.

J. Åqvist, V. Luzhkov, M. Andér, 2008, Biophysical journal.

Molecular modelling and quantum mechanical calculations of the hydration free energy of buckminsterfullerene

V. Luzhkov, Vadim Volokhov, G. A. Pokatovich, 2017 .

Computational study of the binding affinity and selectivity of the bacterial ammonium transporter AmtB.

Martin Almlöf, J. Åqvist, V. Luzhkov, 2006, Biochemistry.

Free-energy molecular simulations of the inclusion complex of Ne with fullerene C60 in water

V. Luzhkov, 2012 .

Membrane Permeability of Modified Butyltriphenylphosphonium Cations.

V. Luzhkov, Y. Antonenko, T. Rokitskaya, 2022, The journal of physical chemistry. B.

A computational study of ion binding and protonation states in the KcsA potassium channel.

V. Luzhkov, J. Åqvist, 2000, Biochimica et biophysica acta.

K(+)/Na(+) selectivity of the KcsA potassium channel from microscopic free energy perturbation calculations.

V. Luzhkov, Johan Åqvist, 2001, Biochimica et biophysica acta.

Detection of nitrosofuran anion radicals in the electrochemical reduction of 5-nitrofuran. EPR investigations and quantum-chemical calculations

V. Luzhkov, L. Baider, T. S. Isichenko, 1989 .