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Methods in Enzymology|April 25, 2008
Nitric oxide reactivity with globins as investigated through computer simulationMarcelo A Marti, Luciana Capece, Axel Bidon-Chanal, et al.Npj Drug Discovery|July 1, 2026
Assessing the ligand native-like pose using a quantum mechanical-derived hydropathic score for protein-ligand complementarityBrian Medel-Lacruz, William J Zamora, Enric Herrero, et al.Current Pharmaceutical Design|August 12, 2010
Structural determinants of the multifunctional profile of dual binding site acetylcholinesterase inhibitors as anti-Alzheimer agentsCarles Galdeano, Elisabet Viayna, Pau Arroyo, et al.The Journal of Biological Chemistry|September 29, 2018
Plasticity in oligomerization, operator architecture, and DNA binding in the mode of action of a bacterial B12-based photoreceptorJesús Fernández-Zapata, Ricardo Pérez-Castaño, Juan Aranda, et al.Nucleic Acids Research|January 15, 2010
Differential stability of 2'F-ANA*RNA and ANA*RNA hybrid duplexes: roles of structure, pseudohydrogen bonding, hydration, ion uptake and flexibilityJonathan K Watts, Nerea Martín-Pintado, Irene Gómez-Pinto, et al.The Journal of Physical Chemistry Letters|February 17, 2017
Proton Dynamics in Protein Mass SpectrometryJinyu Li, Wenping Lyu, Giulia Rossetti, et al.Physical Chemistry Chemical Physics : PCCP|June 28, 2023
Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation modelsWilliam J Zamora, Antonio Viayna, Silvana Pinheiro, et al.Nucleic Acids Research|June 14, 2013
Unravelling the hidden DNA structural/physical code provides novel insights on promoter locationElisa Durán, Sarah Djebali, Santi González, et al.Journal of Chemical Information and Modeling|August 30, 2021
Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation CalculationsVinícius Bonatto, Anwar Shamim, Fernanda Dos R Rocho, et al.Cell Reports|October 26, 2022
DNA double-strand break-derived RNA drives TIRR/53BP1 complex dissociationRuth F Ketley, Federica Battistini, Adele Alagia, et al.Pageof 50