Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions von Botan, Alexandru, Favela-Rosales, Fernando, Fuchs, Patrick F. J, Javanainen, Matti, Kanduč, Matej, Kulig, Waldemar, Lamberg, Antti, Loison, Claire, Lyubartsev, Alexander, Miettinen, Markus S, Monticelli, Luca, Määttä, Jukka, Ollila, O. H. Samuli, Retegan, Marius, Róg, Tomasz, Santuz, Hubert, Tynkkynen, Joona

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Fast and Interactive Positioning of Proteins within Membranes von Lanrezac, André, Laurent, Benoist, Santuz, Hubert, Férey, Nicolas, Baaden, Marc

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PBxplore: a tool to analyze local protein structure and deformability with Protein Blocks von Barnoud, Jonathan, Santuz, Hubert, Craveur, Pierrick, Joseph, Agnel Praveen, Jallu, Vincent, de Brevern, Alexandre G, Poulain, Pierre

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Dynamics and deformability of α-, 310- and π-helices von Narwani, Tarun, Craveur, Pierrick, Shinada, Nicolas, Santuz, Hubert, Rebehmed, Joseph, Etchebest, Catherine, de, Brevern

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Structural profiles of the full phagocyte NADPH oxidase unveiled by combining computational biology and experimental knowledge von Aimeur, Sana, Fas, Burcu Aykac, Serfaty, Xavier, Santuz, Hubert, Sacquin-Mora, Sophie, Bizouarn, Tania, Taly, Antoine, Baciou, Laura

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Binding free-energy calculation tools: Towards maturity? von Lagardère, Louis, Santiago-McRae, Ezry, Santuz, Hubert, Fiorin, Giacomo, Piquemal, Jean-Philip, Brannigan, Grace H., Hénin, Jérôme

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Expanded Functionality and Portability for the Colvars Library von Fiorin, Giacomo, Marinelli, Fabrizio, Forrest, Lucy R., Chen, Haochuan, Chipot, Christophe, Kohlmeyer, Axel, Santuz, Hubert, Hénin, Jérôme

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Antioxidant and Membrane Binding Properties of Serotonin Protect Lipids from Oxidation von Azouzi, Slim, Santuz, Hubert, Morandat, Sandrine, Pereira, Catia, Côté, Francine, Hermine, Olivier, El Kirat, Karim, Colin, Yves, Le Van Kim, Caroline, Etchebest, Catherine, Amireault, Pascal

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A Perspective on the Prospective Use of AI in Protein Structure Prediction von Versini, Raphaelle, Sritharan, Sujith, Aykac Fas, Burcu, Tubiana, Thibault, Aimeur, Sana Zineb, Henri, Julien, Erard, Marie, Nüsse, Oliver, Andreani, Jessica, Baaden, Marc, Fuchs, Patrick, Galochkina, Tatiana, Chatzigoulas, Alexios, Cournia, Zoe, Santuz, Hubert, Sacquin-Mora, Sophie, Taly, Antoine

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Small Oligomers of Aβ42 Protein in the Bulk Solution with AlphaFold2 von Santuz, Hubert, Nguyen, Phuong H, Sterpone, Fabio, Derreumaux, Philippe

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Recent advances on polyproline II von Narwani, Tarun Jairaj, Santuz, Hubert, Shinada, Nicolas, Melarkode Vattekatte, Akhila, Ghouzam, Yassine, Srinivasan, Narayanasamy, Gelly, Jean-Christophe, de Brevern, Alexandre G.

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Effect of Serotonin on Membranes Properties Studied by Molecular Dynamics Simulations von Santuz, Hubert, Azouzi, Slim, Amireault, Pascal, Etchebest, catherine

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buildH: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters von Santuz, Hubert, Bacle, Amélie, Poulain, Pierre, Fuchs, Patrick

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Open Collaboration that uses NMR Data to Judge the Correctness of Phospholipid Glycerol and Head Group Structures in Molecular Dynamics Simulations von Fuchs, Patrick F.J., Javanainen, Matti, Lamberg, Antti, Miettinen, Markus S., Monticelli, Luca, Määttä, Jukka, Samuli Ollila, O.H., Retegan, Marius, Santuz, Hubert

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Using Computer Simulations and Virtual Reality to Understand, Design and Optimize Artificial Water Channels von Martinez, Xavier, Hardiagon, Arthur, Santuz, Hubert, Murail, Samuel, Barboiu, Mihail, Sterpone, Fabio, Baaden, Marc

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Md Simulation Trajectory For Popc/20% Chol Bilayer (Charmm36, Gromacs 4.5) von Santuz, Hubert

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Md Simulation Trajectory For Popc/50% Chol Bilayer (Charmm36, Gromacs 4.5) von Santuz, Hubert

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Md Simulation Trajectory And Related Files For Popc Bilayer (Charmm36, Gromacs 4.5) von Santuz, Hubert

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GROMACS topology files for various lipids for the Charmm36 forcefield von Santuz, Hubert

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Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions von Botan, Alexandru, Favela-Rosales, Fernando, Fuchs, Patrick F. J, Javanainen, Matti, Kanduc, Matej, Kulig, Waldemar, Lamberg, Antti, Loison, Claire, Lyubartsev, Alexander, Miettinen, Markus Sakari, Monticelli, Luca, Maatta, Jukka, Ollila, O. H. Samuli, Retegan, Marius, Rog, Tomasz, Santuz, Hubert, Tynkkynen, Joona

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