Denis Bucher : rechercher sur Z-Library

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1

Photo/redox-responsive 2D-Supramolecular assembly involving Cucurbit[8]uril and a star-shaped porphyrin tecton

Chowdhury, Shagor, Nassar, Youssef, Guy, Laure, Frath, Denis, Chevallier, Floris, Dumont, Elise, Ramos, Ana Paula, Jean-François Demets, Grégoire, Bucher, Christophe

Journal:

Electrochimica Acta

Année:

2019

Langue:

english

Fichier:

PDF, 2.57 MB

english, 2019

2

Photo/redox-responsive 2D-Supramolecular assembly involving Cucurbit[8]uril and a star-shaped porphyrin tecton

Chowdhury, Shagor, Nassar, Youssef, Guy, Laure, Frath, Denis, Chevallier, Floris, Dumont, Elise, Ramos, Ana Paula, Jean-François Demets, Grégoire, Bucher, Christophe

Journal:

Electrochimica Acta

Année:

2019

Fichier:

PDF, 2.57 MB

2019

3

On the Importance of Ribose Orientation in the Substrate Activation of the Coenzyme B12-Dependent Mutases

Bo Durbeej, Gregory M. Sandala, Denis Bucher, David M. Smith, Leo Radom

Journal:

Chemistry - A European Journal

Année:

2009

Langue:

english

Fichier:

PDF, 534 KB

english, 2009

4

Polarization effects and charge transfer in the KcsA potassium channel

Denis Bucher, Simone Raugei, Leonardo Guidoni, Matteo Dal Peraro, Ursula Rothlisberger, Paolo Carloni, Michael L. Klein

Journal:

Biophysical Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 652 KB

english, 2006

5

Importance of water polarization for ion permeation in narrow pores

Denis Bucher, Serdar Kuyucak

Journal:

Chemical Physics Letters

Année:

2009

Langue:

english

Fichier:

PDF, 437 KB

english, 2009

6

Disease expression in women with hereditary angioedema

Laurence Bouillet, Hilary Longhurst, Isabelle Boccon-Gibod, Konrad Bork, Christophe Bucher, Anette Bygum, Teresa Caballero, Christian Drouet, Henriette Farkas, Christian Massot, Erik W. Nielsen, Denis

Journal:

American Journal of Obstetrics and Gynecology

Année:

2008

Langue:

english

Fichier:

PDF, 109 KB

english, 2008

7

Orientational relaxation of water trapped inside C60 fullerenes

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2012

8

Coordination Numbers of K+ and Na+ Ions Inside the Selectivity Filter of the KcsA Potassium Channel: Insights from First Principles Molecular Dynamics

Bucher, Denis, Guidoni, Leonardo, Carloni, Paolo, Rothlisberger, Ursula

Journal:

Biophysical Journal

Année:

2010

Langue:

english

Fichier:

PDF, 271 KB

english, 2010

9

The Protonation State of the Glu-71/Asp-80 Residues in the KcsA Potassium Channel: A First-Principles QM/MM Molecular Dynamics Study

Bucher, Denis, Guidoni, Leonardo, Rothlisberger, Ursula

Journal:

Biophysical Journal

Année:

2007

Langue:

english

Fichier:

PDF, 911 KB

english, 2007

10

Dissociation of NaCl in water from ab initio molecular dynamics simulations

Timko, Jeff, Bucher, Denis, Kuyucak, Serdar

Journal:

The Journal of Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 1.04 MB

english, 2010

11

Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units

Lindert, Steffen, Bucher, Denis, Eastman, Peter, Pande, Vijay, McCammon, J. Andrew

Journal:

Journal of Chemical Theory and Computation

Année:

2013

Langue:

english

Fichier:

PDF, 2.82 MB

english, 2013

12

Tu1738 NOD2 Controls the Paracellular Permeability Related to Macropinocytosis of Enterocyte Tight Junctions in Response to Autophagy

Thachil, Elodie, Bucher, Julie, Ben Mkaddem, Sanae, Chateau, Danielle, Roy, Maryline, Dussaillant, Monique, Viala, Jérôme, Ogier-Denis, Eric, Thenet, Sophie, Pedruzzi, Eric, Hugot, Jean-Pierre, Barrea

Journal:

Gastroenterology

Année:

2013

Langue:

english

Fichier:

PDF, 50 KB

english, 2013

13

Modeling and Inhibitor Design of Ca(2+)-Independent Phospholipase A2

Bucher, Denis, Mouchlis, Varnavas D., Dennis, Edward A., McCammon, J Andrew

Journal:

Biophysical Journal

Année:

2014

Langue:

english

Fichier:

PDF, 178 KB

english, 2014

14

Reaction Mechanism of HIV-1 Protease by Hybrid Car-Parrinello/Classical MD Simulations

Piana, Stefano, Bucher, Denis, Carloni, Paolo, Rothlisberger, Ursula

Journal:

Journal of Physical Chemistry B

Année:

2004

Langue:

english

Fichier:

PDF, 413 KB

english, 2004

15

Dipeptide Aggregation in Aqueous Solution from Fixed Point-Charge Force Fields

Götz, Andreas W., Bucher, Denis, Lindert, Steffen, McCammon, J. Andrew

Journal:

Journal of Chemical Theory and Computation

Année:

2014

Langue:

english

Fichier:

PDF, 2.78 MB

english, 2014

16

Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation

Miao, Yinglong, Sinko, William, Pierce, Levi, Bucher, Denis, Walker, Ross C., McCammon, J. Andrew

Journal:

Journal of Chemical Theory and Computation

Année:

2014

Langue:

english

Fichier:

PDF, 6.16 MB

english, 2014

17

Exploring the Photophysical Properties of Molecular Systems Using Excited State Accelerated ab Initio Molecular Dynamics

Ortiz-Sánchez, Juan Manuel, Bucher, Denis, Pierce, Levi C. T., Markwick, Phineus R. L., McCammon, J. Andrew

Journal:

Journal of Chemical Theory and Computation

Année:

2012

Langue:

english

Fichier:

PDF, 1.26 MB

english, 2012

18

Induced Fit or Conformational Selection? The Role of the Semi-closed State in the Maltose Binding Protein

Bucher, Denis, Grant, Barry J., McCammon, J. Andrew

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 4.08 MB

english, 2011

19

Developing Improved Charge Sets for the Modeling of the KcsA K + Channel Using QM/MM Electrostatic Potentials

Bucher, Denis, Guidoni, Leonardo, Maurer, Patrick, Rothlisberger, Ursula

Journal:

Journal of Chemical Theory and Computation

Année:

2009

Langue:

english

Fichier:

PDF, 2.68 MB

english, 2009

20

Fluoroketone Inhibition of Ca 2+ -Independent Phospholipase A 2 through Binding Pocket Association Defined by Hydrogen/Deuterium Exchange and Molecular Dynamics

Hsu, Yuan-Hao, Bucher, Denis, Cao, Jian, Li, Sheng, Yang, Sheng-Wei, Kokotos, George, Woods, Virgil L., McCammon, J. Andrew, Dennis, Edward A.

Journal:

Journal of the American Chemical Society

Année:

2013

Langue:

english

Fichier:

PDF, 1.75 MB

english, 2013

21

Polarization of Water in the First Hydration Shell of K + and Ca 2+ Ions

Bucher, Denis, Kuyucak, Serdar

Journal:

Journal of Physical Chemistry B

Année:

2008

Langue:

english

Fichier:

PDF, 205 KB

english, 2008

22

On the Use of Accelerated Molecular Dynamics to Enhance Configurational Sampling in Ab Initio Simulations

Bucher, Denis, Pierce, Levi C. T., McCammon, J. Andrew, Markwick, Phineus R. L.

Journal:

Journal of Chemical Theory and Computation

Année:

2011

Langue:

english

Fichier:

PDF, 3.06 MB

english, 2011

23

The Elusive 5′-Deoxyadenosyl Radical in Coenzyme-B 12 -Mediated Reactions

Bucher, Denis, Sandala, Gregory M., Durbeej, Bo, Radom, Leo, Smith, David M.

Journal:

Journal of the American Chemical Society

Année:

2012

Langue:

english

Fichier:

PDF, 4.57 MB

english, 2012

24

Ab Initio Study of Water Polarization in the Hydration Shell of Aqueous Hydroxide: Comparison between Polarizable and Nonpolarizable Water Models

Bucher, Denis, Gray-Weale, Angus, Kuyucak, Serdar

Journal:

Journal of Chemical Theory and Computation

Année:

2010

Langue:

english

Fichier:

PDF, 2.53 MB

english, 2010

25

Correction to “Fluoroketone Inhibition of Ca 2+ -Independent Phospholipase A 2 through Binding Pocket Association Defined by Hydrogen/Deuterium Exchange and Molecular Dynamics”

Hsu, Yuan-Hao, Bucher, Denis, Cao, Jian, Li, Sheng, Yang, Sheng-Wei, Kokotos, George, Woods, Virgil L., McCammon, J. Andrew, Dennis, Edward A.

Journal:

Journal of the American Chemical Society

Année:

2013

Langue:

english

Fichier:

PDF, 182 KB

english, 2013

26

Membranes serve as allosteric activators of phospholipase A 2 , enabling it to extract, bind, and hydrolyze phospholipid substrates

Mouchlis, Varnavas D., Bucher, Denis, McCammon, J. Andrew, Dennis, Edward A.

Journal:

Proceedings of the National Academy of Sciences

Année:

2015

Langue:

english

Fichier:

PDF, 2.73 MB

english, 2015

27

Accessing a Hidden Conformation of the Maltose Binding Protein Using Accelerated Molecular Dynamics

Bucher, Denis, Grant, Barry J., Markwick, Phineus R., McCammon, J. Andrew, Nussinov, Ruth

Journal:

PLoS Computational Biology

Année:

2011

Langue:

english

Fichier:

PDF, 246 KB

english, 2011

28

Insertion of the Ca2+-Independent Phospholipase A2 into a Phospholipid Bilayer via Coarse-Grained and Atomistic Molecular Dynamics Simulations

Bucher, Denis, Hsu, Yuan-Hao, Mouchlis, Varnavas D., Dennis, Edward A., McCammon, J. Andrew, Ben-Tal, Nir

Journal:

PLoS Computational Biology

Année:

2013

Langue:

english

Fichier:

PDF, 2.18 MB

english, 2013

29

Preliminary study on efficiency of repetitive specific postural tasks and walking protocol on subacute stroke patient

Elleuch, Haykal, Coquet, Kevin, Leyval, Francis, Ponchel, Valerie, Bucher, Denis, Toko, Danielle, Kenmogne, Francois

Journal:

Annals of Physical and Rehabilitation Medicine

Année:

2016

Langue:

english

Fichier:

PDF, 39 KB

english, 2016

30

Poly(ionic liquid)s with controlled architectures and their use in the making of ionogels with high conductivity and tunable rheological properties

Srour, Hassan, Leocmach, Mathieu, Maffeis, Valentin, Ghogia, Amel, Denis-Quanquin, Sandrine, Manneville, Sebastien, Taberlet, Nicolas, Andraud, Chantal, Bucher, Christophe, Monnereau, Cyrille

Journal:

Polymer Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 1.46 MB

english, 2016

31

Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Coordination Polymers

Kahlfuss, Christophe, Denis-Quanquin, Sandrine, Calin, Nathalie, Dumont, Elise, Garavelli, Marco, Royal, Guy, Cobo, Saioa, Saint-Aman, Eric, Bucher, Christophe

Journal:

Journal of the American Chemical Society

Année:

2016

Langue:

english

Fichier:

PDF, 924 KB

english, 2016

32

Shedding Light on Important Waters for Drug Design: Simulations versus Grid-based Methods

Bucher, Denis, Stouten, Pieter FW, Triballeau, Nicolas

Journal:

Journal of Chemical Information and Modeling

Année:

2018

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2018

33

Redox-Triggered Folding of Self-Assembled Coordination Polymers incorporating Viologen Units

Abdul-Hassan, Wathiq Sattar, Roux, Denis, Bucher, Christophe, cobo, saioa, Molton, Florian, Saint-Aman, Eric, Royal, Guy

Journal:

Chemistry - A European Journal

Année:

2018

Langue:

english

Fichier:

PDF, 1.91 MB

english, 2018

34

Redox-Induced Molecular Metamorphism Promoting a Sol/Gel Phase Transition in a Viologen-Based Coordination Polymer

Kahlfuss, Christophe, Gibaud, Thomas, Denis-Quanquin, Sandrine, Chowdhury, Shagor, Royal, Guy, Chevallier, Floris, Saint-Aman, Eric, Bucher, Christophe

Journal:

Chemistry - A European Journal

Année:

2018

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2018

35

Hetero-Bimetallic Effect as a Route to Access Multinuclear Complexes

Chen, Zhongrui, Canard, Gabriel, Jacquemin, Denis, Bucher, Christophe, Giorgi, Michel, Siri, Olivier

Journal:

Inorganic Chemistry

Année:

2018

Langue:

english

Fichier:

PDF, 1.64 MB

english, 2018

36

Mechanistic Implications of Reductive Co-C Bond Cleavage in B 12 -Dependent Methylmalonyl CoA Mutase

Kumar, Neeraj, Bucher, Denis, Kozlowski, Pawel M.

Journal:

Journal of Physical Chemistry B

Année:

2019

Fichier:

PDF, 3.36 MB

2019

37

Mechanistic Implications of Reductive Co-C Bond Cleavage in B 12 -Dependent Methylmalonyl CoA Mutase

Kumar, Neeraj, Bucher, Denis, Kozlowski, Pawel M.

Journal:

Journal of Physical Chemistry B

Année:

2019

Langue:

english

Fichier:

PDF, 3.36 MB

english, 2019

38

Unconventional access to a solvatochromic nickel (II) dye featuring a coordination-induced spin crossover behavior

Chen, Zhongrui, Lhoussain, Khrouz, Bucher, Christophe, Jacquemin, Denis, Luneau, Dominique, Siri, Olivier

Journal:

Dyes and Pigments

Année:

2020

Fichier:

PDF, 1.63 MB

2020