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1

Ion permeation mechanism of the potassium channel

Åqvist, Johan, Luzhkov, Victor

Journal:

Year:

2000

Language:

english

File:

PDF, 238 KB

english, 2000

2

Ligand Binding Affinities from MD Simulations

Åqvist, Johan, Luzhkov, Victor B., Brandsdal, Bjørn O.

Journal:

Accounts of Chemical Research

Year:

2002

Language:

english

File:

PDF, 396 KB

english, 2002

3

ChemInform Abstract: Ligand Binding Affinities from MD Simulations

Johan Aaqvist, Victor B. Luzhkov, Bjoern O. Brandsdal

Journal:

Year:

2002

File:

PDF, 25 KB

2002

4

The Application of stereolithography to the fabrication of accurate molecular models

William J. Skawinski, Thomas J. Busanic, Ana D. Ofsievich, Thomas J. Venanzi, Victor B. Luzhkov, Carol A. Venanzi

Journal:

Journal of Molecular Graphics

Year:

1995

Language:

english

File:

PDF, 1.18 MB

english, 1995

5

Computational modelling of the open-state Kv1.5 ion channel block by bupivacaine

Victor B Luzhkov, Johanna Nilsson, Peter Århem, Johan Åqvist

Journal:

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

Year:

2003

Language:

english

File:

PDF, 2.16 MB

english, 2003

6

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

Victor B. Luzhkov

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 306 KB

english, 2005

7

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

Victor B. Luzhkov, Barbara Selisko, Anneli Nordqvist, Frédéric Peyrane, Etienne Decroly, Karine Alvarez, Anders Karlen, Bruno Canard, Johan Åqvist

Journal:

Bioorganic & Medicinal Chemistry

Year:

2007

Language:

english

File:

PDF, 880 KB

english, 2007

8

Corrigendum to “Virtual screening and bioassay study of novel inhibitors for dengue virus mRNA cap (nucleoside-2′O)-methyltransferase” [Bioorg. Med. Chem. 15 (2007) 7795–7802]

Victor B. Luzhkov, Barbara Selisko, Anneli Nordqvist, Frédéric Peyrane, Etienne Decroly, Karine Alvarez, Anders Karlen, Bruno Canard, Johan Åqvist

Journal:

Bioorganic & Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 69 KB

english, 2008

9

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

Victor B. Luzhkov

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 214 KB

english, 2005

10

Calculation of PMF from the WHAM and FEP molecular dynamics simulations: Case study of the methane dimer in water

Victor. B. Luzhkov

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 386 KB

english, 2008

11

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

Victor B. Luzhkov

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 130 KB

english, 2001

12

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

Victor Luzhkov, Johan Åqvist

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 147 KB

english, 1999

13

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

Victor B Luzhkov, Johan Åqvist

Journal:

Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology

Year:

2000

Language:

english

File:

PDF, 1.67 MB

english, 2000

14

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

Victor B Luzhkov, Johan Åqvist

Journal:

Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology

Year:

2001

Language:

english

File:

PDF, 658 KB

english, 2001

15

Structural and Biochemical Analysis of Human Pathogenic Astrovirus Serine Protease at 2.0 Å Resolution

Silvia Speroni, Jacques Rohayem, Simone Nenci, Daniele Bonivento, Ivonne Robel, Julia Barthel, Victor B. Luzhkov, Bruno Coutard, Bruno Canard, Andrea Mattevi

Journal:

Journal of Molecular Biology

Year:

2009

Language:

english

File:

PDF, 1.40 MB

english, 2009

16

Mechanisms of tetraethylammonium ion block in the KcsA potassium channel

Victor B Luzhkov, Johan Åqvist

Journal:

Year:

2001

Language:

english

File:

PDF, 799 KB

english, 2001

17

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

Victor B Luzhkov, Fredrik Österberg, Johan Åqvist

Journal:

Year:

2003

Language:

english

File:

PDF, 200 KB

english, 2003

18

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

Luzhkov, Victor, Decroly, Etienne, Canard, Bruno, Selisko, Barbara, Åqvist, Johan

Journal:

Molecular Informatics

Year:

2013

Language:

english

File:

PDF, 3.43 MB

english, 2013

19

Ligand Binding to the Voltage-Gated Kv1.5 Potassium Channel in the Open State—Docking and Computer Simulations of a Homology Model

Andér, Martin, Luzhkov, Victor B., Åqvist, Johan

Journal:

Biophysical Journal

Year:

2008

Language:

english

File:

PDF, 790 KB

english, 2008

20

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

Luzhkov, Victor B., Venanzi, Carol A.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.29 MB

english, 1995

21

Molecular Dynamics and Static Solvation Studies of Amiloride

Buono, Ronald A., Venanzi, Thomas J., Zauhar, Randy J., Luzhkov, Victor B., Venanzi, Carol A.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 2.12 MB

english, 1994

22

Free-energy molecular simulations of the inclusion complex of Ne with fullerene C 60 in water

Luzhkov, Victor B.

Journal:

Molecular Simulation

Year:

2012

Language:

english

File:

PDF, 202 KB

english, 2012

23

Computational Study of the Influence of Solvent on 16 O/ 18 O Equilibrium Isotope Effects in Phosphate Deprotonation Reactions

Kolmodin, Karin, Luzhkov, Victor B., Åqvist, Johan

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 190 KB

english, 2002

24

Computer Simulation of Phenyl Ester Cleavage by β-Cyclodextrin in Solution

Luzhkov, Victor, Åqvist, Johan

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 151 KB

english, 1998

25

Computational Study of the Binding Affinity and Selectivity of the Bacterial Ammonium Transporter AmtB †

Luzhkov, Victor B., Almlöf, Martin, Nervall, Martin, Åqvist, Johan

Journal:

Year:

2006

Language:

english

File:

PDF, 340 KB

english, 2006

26

Computational and NMR study of quaternary ammonium ion conformations in solution

Luzhkov, Victor B., ??sterberg, Fredrik, Acharya, Parag, Chattopadhyaya, Jyoti, ??qvist, Johan

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 294 KB

english, 2002

27

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

Luzhkov, Victor B., Kotelnikov, Alexander I.

Journal:

Tetrahedron Letters

Year:

2015

Language:

english

File:

PDF, 638 KB

english, 2015

28

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

Luzhkov, Victor B., Volokhov, Vadim M., Pokatovich, Gennadii A.

Journal:

Chemical Physics Letters

Year:

2017

Language:

english

File:

PDF, 571 KB

english, 2017

29

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

Krapivin, Vladimir B., Mendkovich, Andrey S., Sen’, Vasily D., Luzhkov, Victor B.

Journal:

Mendeleev Communications

Year:

2019

Language:

english

File:

PDF, 404 KB

english, 2019

30

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

Rokitskaya, Tatyana I., Luzhkov, Victor B., Korshunova, Galina A., Tashlitsky, Vadim N., Antonenko, Yuri N.

Journal:

Physical Chemistry Chemical Physics

Year:

2019

File:

PDF, 2.59 MB

2019

31

Lipophilic ion aromaticity is not important for permeability across lipid membranes

Rokitskaya, Tatyana I., Kotova, Elena A., Luzhkov, Victor B., Kirsanov, Roman S., Aleksandrova, Ekaterina V., Korshunova, Galina A., Tashlitsky, Vadim N., Antonenko, Yuri N.

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2021

File:

PDF, 1.20 MB

2021

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