Alejandro Gil-Ley
Alejandro Gil-Ley
Zymeworks, Inc.
確認したメール アドレス:
RNA structural dynamics as captured by molecular simulations: A comprehensive overview
J Šponer, G Bussi, M Krepl, P Banáš, S Bottaro, RA Cunha, A Gil-Ley, ...
Chemical reviews 118 (8), 4177-4338, 2018
Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ...
Nature methods 16 (8), 670-673, 2019
Enhanced Conformational Sampling using Replica Exchange with Collective-Variable Tempering
A Gil-Ley, G Bussi
Journal of chemical theory and computation 11 (3), 1077-1085, 2015
Combining simulations and solution experiments as a paradigm for RNA force field refinement
A Cesari, A Gil-Ley, G Bussi
Journal of Chemical Theory and Computation 12 (12), 6192-6200, 2016
Empirical corrections to the Amber RNA force field with Target Metadynamics
A Gil-Ley, S Bottaro, G Bussi
Journal of chemical theory and computation 12 (6), 2790-2798, 2016
RNA folding pathways in stop motion
S Bottaro, A Gil-Ley, G Bussi
Nucleic acids research 44 (12), 5883-5891, 2016
Exploring the dynamics of propeller loops in human telomeric DNA quadruplexes using atomistic simulations
B Islam, P Stadlbauer, A Gil-Ley, G Pérez-Hernández, S Haider, S Neidle, ...
Journal of chemical theory and computation 13 (6), 2458-2480, 2017
Computational Perspectives into Plasmepsins Structure—Function Relationship: Implications to Inhibitors Design
A Gil L, PA Valiente, PG Pascutti, T Pons
Journal of tropical medicine 2011, 2011
New parameterization approaches of the LIE method to improve free energy calculations of PlmII‐Inhibitors complexes
PA Valiente, A Gil L, PR Batista, ER Caffarena, T Pons, PG Pascutti
Journal of computational chemistry 31 (15), 2723-2734, 2010
Atomistic Details of Chymotrypsin Conformational Changes upon Adsorption on Silica
N Hildebrand, M Michaelis, N Wurzler, Z Li, JD Hirst, A Micsonai, J Kardos, ...
ACS Biomaterials Science & Engineering 4 (12), 4036-4050, 2018
Exploring the antigenic features of Fasciola hepatica rediae (Trematoda: Digenea) through the evaluation of different antigenic candidates for further monoclonal antibody …
A Alba, HM Hernández, R Marcet, AL Gil, AA Vázquez, M Figueredo, ...
Parasitology research 113 (9), 3185-3193, 2014
Membrane transporter dimerization driven by differential lipid solvation energetics of dissociated and associated states
R Chadda, N Bernhardt, EG Kelley, SCM Teixeira, K Griffith, A Gil-Ley, ...
Elife 10, e63288, 2021
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