Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering

por Gil-Ley, Alejandro, Bussi, Giovanni
Publicado 2015

Correction to Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering

por Gil-Ley, Alejandro, Bussi, Giovanni
Publicado 2015

Empirical Corrections to the Amber RNA Force Field with Target Metadynamics

por Gil-Ley, Alejandro, Bottaro, Sandro, Bussi, Giovanni
Publicado 2016

RNA folding pathways in stop motion

por Bottaro, Sandro, Gil-Ley, Alejandro, Bussi, Giovanni
Publicado 2016

Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations

por Islam, Barira, Stadlbauer, Petr, Gil-Ley, Alejandro, Pérez-Hernández, Guillermo, Haider, Shozeb, Neidle, Stephen, Bussi, Giovanni, Banas, Pavel, Otyepka, Michal, Sponer, Jiri
Publicado 2017

RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview

por 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
Publicado 2018

Membrane transporter dimerization driven by differential lipid solvation energetics of dissociated and associated states

por Chadda, Rahul, Bernhardt, Nathan, Kelley, Elizabeth G, Teixeira, Susana CM, Griffith, Kacie, Gil-Ley, Alejandro, Öztürk, Tuğba N, Hughes, Lauren E, Forsythe, Ana, Krishnamani, Venkatramanan, Faraldo-Gómez, José D, Robertson, Janice L
Publicado 2021