Gil Ley, Alejandro
Gil Ley, Alejandro
Scuola Internazionale Superiore di Studi Avanzati
Atomistic Details of Chymotrypsin Conformational Changes upon Adsorption on Silica
2018-01-01 Hildebrand, Nils; Michaelis, Monika; Wurzler, Nina; Li, Zhuo; Hirst, Jonathan D.; Micsonai, András; Kardos, József; Gil-Ley, Alejandro; Bussi, Giovanni; Köppen, Susan; Delle Piane, Massimo; Colombi Ciacchi, Lucio
Combining simulations and solution experiments as a paradigm for RNA force field refinement
2016-01-01 Cesari, Andrea; Gil Ley, Alejandro; Bussi, Giovanni
Empirical corrections to the Amber RNA force field with Target Metadynamics
2016-01-01 Gil Ley, Alejandro; Bottaro, Sandro; Bussi, Giovanni
Enhanced Conformational Sampling using Replica Exchange with Collective-Variable Tempering
2015-01-01 Gil Ley, Alejandro; Bussi, Giovanni
Enhanced sampling and force field corrections for RNA oligomers
2016-10-20 Gil Ley, Alejandro
Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations
2017-01-01 Islam, B.; Stadlbauer, P.; Gil Ley, Alejandro; Pérez Hernández, G.; Haider, S.; Neidle, S.; Bussi, Giovanni; Banas, P.; Otyepka, M.; Sponer, J.
RNA Conformational Ensembles: Narrowing the GAP between Experiments and Simulations with Metadynamics
2016-01-01 Gil Ley, Alejandro; Bottaro, Sandro; Bussi, Giovanni
RNA Folding Pathways in Stop Motion
2016-01-01 Bottaro, Sandro; Gil Ley, Alejandro; Bussi, Giovanni
RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview
2018-01-01 Šponer, Jiří; Bussi, Giovanni; Krepl, Miroslav; Banáš, Pavel; Bottaro, Sandro; Cunha, Richard A; Gil-Ley, Alejandro; Pinamonti, Giovanni; Poblete, Simón; Jurečka, Petr; Walter, Nils G; Otyepka, Michal