Hakutulokset - Alejandro Gil-Ley

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  1. 1
    Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering

    Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering Tekijä Alejandro Gil-Ley, Giovanni Bussi

    Julkaistu 2015
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  2. 2
    Empirical Corrections to the Amber RNA Force Field with Target Metadynamics

    Empirical Corrections to the Amber RNA Force Field with Target Metadynamics Tekijä Alejandro Gil-Ley, Sandro Bottaro, Giovanni Bussi

    Julkaistu 2016
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  3. 3
    Combining Simulations and Solution Experiments as a Paradigm for RNA Force Field Refinement

    Combining Simulations and Solution Experiments as a Paradigm for RNA Force Field Refinement Tekijä Andrea Cesari, Alejandro Gil-Ley, Giovanni Bussi

    Julkaistu 2016
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  4. 4
    Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations

    Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations Tekijä Barira Islam, Petr Stadlbauer, Alejandro Gil-Ley, Guillermo Pérez‐Hernández, Shozeb Haider, Stephen Neidle, Giovanni Bussi, Pavel Banáš, Michal Otyepka, Jiřı́ Šponer

    Julkaistu 2017
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  5. 5
    RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview

    RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview Tekijä Jiřı́ Šponer, Giovanni Bussi, Miroslav Krepl, Pavel Banáš, Sandro Bottaro, Richard A. Cunha, Alejandro Gil-Ley, Giovanni Pinamonti, Simón Poblete, Petr Jurečka, Nils G. Walter, Michal Otyepka

    Julkaistu 2018
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  6. 6
    Membrane transporter dimerization driven by differential lipid solvation energetics of dissociated and associated states

    Membrane transporter dimerization driven by differential lipid solvation energetics of dissociated and associated states Tekijä Rahul Chadda, Nathan Bernhardt, Elizabeth G. Kelley, Susana C. M. Teixeira, Kacie Griffith, Alejandro Gil-Ley, Tuğba N. Öztürk, Lauren Hughes, Ana Forsythe, Venkatramanan Krishnamani, José D. Faraldo‐Gómez, Janice Robertson

    Julkaistu 2021
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  7. 7
    Promoting transparency and reproducibility in enhanced molecular simulations

    Promoting transparency and reproducibility in enhanced molecular simulations Tekijä Massimiliano Bonomi, Giovanni Bussi, Carlo Camilloni, Gareth A. Tribello, Pavel Banáš, Alessandro Barducci, Mattia Bernetti, Peter G. Bolhuis, Sandro Bottaro, Davide Branduardi, Riccardo Capelli, Paolo Carloni, Michele Ceriotti, Andrea Cesari, Haochuan Chen, Wei Chen, Francesco Colizzi, Sandip De, Marco De La Pierre, Davide Donadio, Viktor Drobot, Bernd Ensing, Andrew L. Ferguson, Marta Filizola, James S. Fraser, Haohao Fu, Piero Gasparotto, Francesco Luigi Gervasio, Federico Giberti, Alejandro Gil-Ley, Toni Giorgino, Gabriella T. Heller, Glen M. Hocky, Marcella Iannuzzi, Michele Invernizzi, Kim E. Jelfs, Alexander Jussupow, Evgeny Kirilin, Alessandro Laio, Vittorio Limongelli, Kresten Lindorff‐Larsen, Thomas Löhr, Fabrizio Marinelli, Layla Martin‐Samos, Matteo Masetti, Ralf Meyer, Angelos Michaelides, Carla Molteni, Tetsuya Morishita, Marco Nava, Cristina Paissoni, Elena Papaleo, Michele Parrinello, Jim Pfaendtner, Pablo M. Piaggi, GiovanniMaria Piccini, Adriana Pietropaolo, Fabio Pietrucci, Silvio Pipolo, Davide Provasi, David Quigley, Paolo Raiteri, Stefano Raniolo, Jakub Rydzewski, Matteo Salvalaglio, Gabriele C. Sosso, Vojtěch Spiwok, Jiřı́ Šponer, David W. Swenson, Pratyush Tiwary, Ómar Valsson, Michele Vendruscolo, Gregory A. Voth, Andrew Dickson White, The Plumed Consortium

    Julkaistu 2019
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