Membranes serve as allosteric activators of phospholipase A₂, enabling it to extract, bind, and hydrolyze phospholipid substrates von Mouchlis, Varnavas D., Bucher, Denis, McCammon, J. Andrew, Dennis, Edward A.

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On the Use of Accelerated Molecular Dynamics to Enhance Configurational Sampling in Ab Initio Simulations von Bucher, Denis, Pierce, Levi C. T, McCammon, J. Andrew, Markwick, Phineus R. L

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Discovery and Optimization of Orally Bioavailable Phthalazone and Cinnolone Carboxylic Acid Derivatives as S1P2 Antagonists against Fibrotic Diseases von Mammoliti, Oscar, Jansen, Koen, El Bkassiny, Sandy, Palisse, Adeline, Triballeau, Nicolas, Bucher, Denis, Allart, Brigitte, Jaunet, Alex, Tricarico, Giovanni, De Wachter, Maxim, Menet, Christel, Blanc, Javier, Letfus, Vatroslav, Rupčić, Renata, Šmehil, Mario, Poljak, Tanja, Coornaert, Beatrice, Sonck, Kathleen, Duys, Inge, Waeckel, Ludovic, Lecru, Lola, Marsais, Florence, Jagerschmidt, Catherine, Auberval, Marielle, Pujuguet, Philippe, Oste, Line, Borgonovi, Monica, Wakselman, Emanuelle, Christophe, Thierry, Houvenaghel, Nicolas, Jans, Mia, Heckmann, Bertrand, Sanière, Laurent, Brys, Reginald

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Importance of water polarization for ion permeation in narrow pores von Bucher, Denis, Kuyucak, Serdar

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Crystal structure of adenosine A2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction von Claff, Tobias, Schlegel, Jonathan G., Voss, Jan H., Vaaßen, Victoria J., Weiße, Renato H., Cheng, Robert K. Y., Markovic-Mueller, Sandra, Bucher, Denis, Sträter, Norbert, Müller, Christa E.

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Ab Initio Study of Water Polarization in the Hydration Shell of Aqueous Hydroxide: Comparison between Polarizable and Nonpolarizable Water Models von Bucher, Denis, Gray-Weale, Angus, Kuyucak, Serdar

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Shedding Light on Important Waters for Drug Design: Simulations versus Grid-Based Methods von Bucher, Denis, Stouten, Pieter, Triballeau, Nicolas

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Fluoroketone Inhibition of Ca2+-Independent Phospholipase A2 through Binding Pocket Association Defined by Hydrogen/Deuterium Exchange and Molecular Dynamics von Hsu, Yuan-Hao, Bucher, Denis, Cao, Jian, Li, Sheng, Yang, Sheng-Wei, Kokotos, George, Woods, Virgil L, McCammon, J. Andrew, Dennis, Edward A

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Mechanistic Implications of Reductive Co–C Bond Cleavage in B12-Dependent Methylmalonyl CoA Mutase von Kumar, Neeraj, Bucher, Denis, Kozlowski, Pawel M

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Coordination Numbers of K+ and Na+ Ions Inside the Selectivity Filter of the KcsA Potassium Channel: Insights from First Principles Molecular Dynamics von Bucher, Denis, Guidoni, Leonardo, Carloni, Paolo, Rothlisberger, Ursula

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The Elusive 5′-Deoxyadenosyl Radical in Coenzyme-B 12 -Mediated Reactions von Bucher, Denis, Sandala, Gregory M., Durbeej, Bo, Radom, Leo, Smith, David M.

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The Protonation State of the Glu-71/Asp-80 Residues in the KcsA Potassium Channel: A First-Principles QM/MM Molecular Dynamics Study von Bucher, Denis, Guidoni, Leonardo, Rothlisberger, Ursula

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Polarization of Water in the First Hydration Shell of K + and Ca 2+ Ions von Bucher, Denis, Kuyucak, Serdar

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Membranes serve as allosteric activators of phospholipase A^sub 2^, enabling it to extract, bind, and hydrolyze phospholipid substrates von Mouchlis, Varnavas D, Bucher, Denis, McCammon, J Andrew, Dennis, Edward A

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Membranes serve as allosteric activators of phospholipase A 2 , enabling it to extract, bind, and hydrolyze phospholipid substrates von Mouchlis, Varnavas D., Bucher, Denis, McCammon, J. Andrew, Dennis, Edward A.

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Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators von Botte, Mathieu, Huber, Sophie, Bucher, Denis, Klint, Julie K, Rodríguez, David, Tagmose, Lena, Chami, Mohamed, Cheng, Robert, Hennig, Michael, Abdul Rahman, Wassim

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Modeling and Inhibitor Design of Ca(2+)-Independent Phospholipase A2 von Bucher, Denis, Mouchlis, Varnavas D., Dennis, Edward A., McCammon, J Andrew

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Dipeptide Aggregation in Aqueous Solution from Fixed Point-Charge Force Fields von Götz, Andreas W, Bucher, Denis, Lindert, Steffen, McCammon, J. Andrew

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Polarization effects and charge transfer in the KcsA potassium channel von Bucher, Denis, Raugei, Simone, Guidoni, Leonardo, Dal Peraro, Matteo, Rothlisberger, Ursula, Carloni, Paolo, Klein, Michael L.

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Bordetella pertussis fim3 gene regulation by BvgA: Phosphorylation controls the formation of inactive vs. active transcription complexes von Boulanger, Alice, Moon, Kyung, Decker, Kimberly B, Chen, Qing, Knipling, Leslie, Stibitz, Scott, Hinton, Deborah M

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