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Issue Date
Title
Author(s)
12-Mar-2019
Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors
Granadino Roldán, José M.; Mey, Antonia S. J. S.; Pérez González, Juan J.; Bosisio, Stefano; Rubio Martínez, Jaime; Michel, Julien
Jan-2019
Simulations of strongly coupled ions at a liquid-gas interface in time projection chambers
Alonso de la Fuente, Albert
6-Feb-2020
Motility and morphodynamics of confined cells
Lavi, Ido; Meunier, Nicolas; Voituriez, Raphaël; Casademunt i Viader, Jaume
25-Oct-2012
Distance dependence of triplet energy transfer in water and organic solvents: A QM/MD study
Curutchet Barat, Carles E.; Voityuk, Alexander A.
1-Oct-2016
Assessment of the Sampling Performance of Multiple-Copy Dynamics versus a Unique Trajectory
Pérez González, Juan J.; Santos Tomas, M.; Rubio Martínez, Jaime
5-Nov-2021
Elucidating the activation mechanism of AMPK by direct pan-activator PF-739
Aledavood, Elnaz; Gheeraert, Aria; Forte, Alessia; Vuillon, Laurent; Rivalta, Ivan; Luque Garriga, F. Xavier; Estarellas, Carolina
3-Jan-2008
Dynamic ion pairs in the adsorption of isolated water molecules on alkaline-earth oxide (001) surfaces
Carrasco Rodríguez, Javier; Illas i Riera, Francesc; López, Núria (López Alonso)
7-Aug-2019
Understanding the mechanism of direct activation of AMP-kinase: Towards a fine allosteric tuning of the kinase activity
Aledavood, Elnaz; Moraes, Gleiciane; Lameira, Jeronimo; Castro, Ana; Luque Garriga, F. Xavier; Estarellas, Carolina
Jun-2022
Ranking of inhibitors of SARS-CoV-2 Mpro protease with end-point methodologies
Cruz Marín, Carlos
8-Jan-2020
Computational Study of the Structure and Dynamics of Androgen Receptor Polyglutamine Tract
Topal, Busra
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Author
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Orozco López, Modesto
11
Sayós Ortega, Ramón
9
Rubio Martínez, Jaime
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Franzese, Giancarlo
8
Hospital Gasch, Adam
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156
Dinàmica molecular
15
Bachelor's theses
15
Proteins
15
Proteïnes
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Treballs de fi de grau
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2020 - 2024
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2010 - 2019
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2000 - 2009
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1990 - 1999
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1981 - 1989
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