Search Results - Roux, Benoit

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  1. 1
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    The dawn of alchemical free-energy methods in biomolecular simulations Autoría: Macuglia, Daniele, Ciccotti, Giovanni, Roux, Benoît

    Published 2025
    Fuente: arXiv
    Tipo de material: Preprint
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  2. 2
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    Mass-Zero constrained molecular dynamics for electrostatic interactions Autoría: Troni, Federica, Grassano, Davide, Narayan, Jayashree, Roux, Benoît, Bonella, Sara

    Published 2025
    Fuente: arXiv
    Tipo de material: Preprint
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  3. 3
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    Iterative variational learning of committor-consistent transition pathways using artificial neural networks Autoría: Megías, Alberto, Arredondo, Sergio Contreras, Chen, Cheng Giuseppe, Tang, Chenyu, Roux, Benoît, Chipot, Christophe

    Published 2024
    Fuente: arXiv
    Tipo de material: Preprint
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  4. 4
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    Following the Committor Flow: A Data-Driven Discovery of Transition Pathways Autoría: Chen, Cheng Giuseppe, Tang, Chenyu, Megías, Alberto, Talmazan, Radu A., Arredondo, Sergio Contreras, Roux, Benoît, Chipot, Christophe

    Published 2025
    Fuente: arXiv
    Tipo de material: Preprint
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  5. 5
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    Isoleucine gate blocks K+ conduction in C-type inactivation Autoría: Treptow, Werner, Liu, Yichen, Bassetto Jr, Carlos A. Z., Pinto, Bernardo I., Alves, João, Chipot, Christophe, Bezanilla, Francisco, Roux, Benoît

    Published 2024
    Fuente: arXiv
    Tipo de material: Preprint
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  6. 6
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    The need to implement FAIR principles in biomolecular simulations Autoría: Amaro, Rommie, Åqvist, Johan, Bahar, Ivet, Battistini, Federica, Bellaiche, Adam, Beltran, Daniel, Biggin, Philip C., Bonomi, Massimiliano, Bowman, Gregory R., Bryce, Richard, Bussi, Giovanni, Carloni, Paolo, Case, David, Cavalli, Andrea, Chang, Chie-En A., Cheatham III, Thomas E., Cheung, Margaret S., Chipot, Cris, Chong, Lillian T., Choudhary, Preeti, Cisneros, Gerardo Andres, Clementi, Cecilia, Collepardo-Guevara, Rosana, Coveney, Peter, Covino, Roberto, Crawford, T. Daniel, Peraro, Matteo Dal, de Groot, Bert, Delemotte, Lucie, De Vivo, Marco, Essex, Jonathan, Fraternali, Franca, Gao, Jiali, Gelpí, Josep Lluís, Gervasio, Francesco Luigi, Gonzalez-Nilo, Fernando Danilo, Grubmüller, Helmut, Guenza, Marina, Guzman, Horacio V., Harris, Sarah, Head-Gordon, Teresa, Hernandez, Rigoberto, Hospital, Adam, Huang, Niu, Huang, Xuhui, Hummer, Gerhard, Iglesias-Fernández, Javier, Jensen, Jan H., Jha, Shantenu, Jiao, Wanting, Jorgensen, William L., Kamerlin, Shina Caroline Lynn, Khalid, Syma, Laughton, Charles, Levitt, Michael, Limongelli, Vittorio, Lindahl, Erik, Lindorff-Larsen, Kresten, Loverde, Sharon, Lundborg, Magnus, Luo, Yun Lyna, Luque, Francisco Javier, Lynch, Charlotte I., MacKerell, Alexander, Magistrato, Alessandra, Marrink, Siewert J., Martin, Hugh, McCammon, J. Andrew, Merz, Kenneth, Moliner, Vicent, Mulholland, Adrian, Murad, Sohail, Naganathan, Athi N., Nangia, Shikha, Noe, Frank, Noy, Agnes, Oláh, Julianna, O'Mara, Megan, Ondrechen, Mary Jo, Onuchic, José N., Onufriev, Alexey, Osuna, Silvia, Panchenko, Anna R., Pantano, Sergio, Parish, Carol, Parrinello, Michele, Perez, Alberto, Perez-Acle, Tomas, Perilla, Juan R., Pettitt, B. Montgomery, Pietropalo, Adriana, Piquemal, Jean-Philip, Poma, Adolfo, Praprotnik, Matej, Ramos, Maria J., Ren, Pengyu, Reuter, Nathalie, Roitberg, Adrian, Rosta, Edina, Rovira, Carme, Roux, Benoit, Röthlisberger, Ursula, Sanbonmatsu, Karissa Y., Schlick, Tamar, Shaytan, Alexey K., Simmerling, Carlos, Smith, Jeremy C., Sugita, Yuji, Świderek, Katarzyna, Taiji, Makoto, Tao, Peng, Tieleman, D. Peter, Tikhonova, Irina G., Tirado-Rives, Julian, Tunón, Inaki, Van Der Kamp, Marc W., Van der Spoel, David, Velankar, Sameer, Voth, Gregory A., Wade, Rebecca, Warshel, Ariel, Welborn, Valerie Vaissier, Wetmore, Stacey, Wheeler, Travis J., Wong, Chung F., Yang, Lee-Wei, Zacharias, Martin, Orozco, Modesto

    Published 2024
    Fuente: arXiv
    Tipo de material: Preprint
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