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Biochimica Et Biophysica Acta|December 3, 2014
Molecular dynamic simulations of protein/RNA complexes: CRISPR/Csy4 endoribonucleaseCarolina Estarellas, Michal Otyepka, Jaroslav Koča, et al.Chemical Communications (Cambridge, England)|March 17, 2011
RNAs' uracil quartet model with a non-essential metal ionMiquel Barceló-Oliver, Carolina Estarellas, Àngel Terrón, et al.Journal of Chemical Information and Modeling|March 30, 2019
Understanding the Mechanism of Direct Activation of AMP-Kinase: Toward a Fine Allosteric Tuning of the Kinase ActivityElnaz Aledavood, Gleiciane Moraes, Jeronimo Lameira, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 3, 2009
Very long-range effects: cooperativity between anion-pi and hydrogen-bonding interactionsXavier Lucas, Carolina Estarellas, Daniel Escudero, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|September 17, 2015
Short Access to Belt Compounds with Spatially Close C=C Bonds and Their Transannular ReactionsPelayo Camps, Tània Gómez, Ane Otermin, et al.The Journal of Organic Chemistry|April 14, 2018
Generation and Reactions of an Octacyclic Hindered Pyramidalized AlkenePelayo Camps, David Lozano, Carla Barbaraci, et al.The Journal of Physical Chemistry. A|March 11, 2009
Energetic vs synergetic stability: a theoretical studyCarolina Estarellas, Antonio Frontera, David Quiñonero, et al.Journal of the American Chemical Society|May 16, 2013
Quantification of nitrate-π interactions and selective transport of nitrate using calix[4]pyrroles with two aromatic wallsLouis Adriaenssens, Carolina Estarellas, Andreas Vargas Jentzsch, et al.Drug Discovery Today. Technologies|January 3, 2016
Understanding the kinetics of ligand binding to globins with molecular dynamics simulations: the necessity of multiple state modelsCarolina Estarellas Martin, Constantí Seira Castan, F Javier Luque Garriga, et al.Frontiers in Molecular Biosciences|November 22, 2021
Elucidating the Activation Mechanism of AMPK by Direct Pan-Activator PF-739Elnaz Aledavood, Aria Gheeraert, Alessia Forte, et al.Pageof 4