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Journal of Computer-Aided Molecular Design|April 4, 2024
On the relevance of query definition in the performance of 3D ligand-based virtual screeningJavier Vázquez, Ricardo García, Paula Llinares, et al.Molecules (Basel, Switzerland)|October 20, 2020
Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening ApproachesJavier Vázquez, Manel López, Enric Gibert, et al.Journal of Medicinal Chemistry|August 20, 2004
Modulation of binding strength in several classes of active site inhibitors of acetylcholinesterase studied by comparative binding energy analysisSonsoles Martín-Santamaría, Jordi Muñoz-Muriedas, F Javier Luque, et al.The Journal of Physical Chemistry. B|September 29, 2017
Prediction of pH-Dependent Hydrophobic Profiles of Small Molecules from Miertus-Scrocco-Tomasi Continuum Solvation CalculationsWilliam J Zamora, Carles Curutchet, Josep M Campanera, et al.Antioxidants & Redox Signaling|March 12, 2020
Dioxygen Binding and Sensing ProteinsDarío A Estrín, F Javier Luque, Govindasamy Ilangovan, et al.Frontiers in Molecular Biosciences|January 31, 2022
From Acid Activation Mechanisms of Proton Conduction to Design of Inhibitors of the M2 Proton Channel of Influenza A VirusElnaz Aledavood, Beatrice Selmi, Carolina Estarellas, et al.Chemical Communications (Cambridge, England)|December 22, 2018
A multifunctional toolkit for target-directed cancer therapyMontserrat Terrazas, Dani Sánchez, Federica Battistini, et al.Journal of the American Chemical Society|December 14, 2016
Small Details Matter: The 2'-Hydroxyl as a Conformational Switch in RNALeonardo Darré, Ivan Ivani, Pablo D Dans, et al.Journal of Chemical Information and Modeling|January 11, 2011
Scoring by intermolecular pairwise propensities of exposed residues (SIPPER): a new efficient potential for protein-protein dockingCarles Pons, David Talavera, Xavier de la Cruz, et al.BMC Genomics|October 11, 2011
Physical properties of naked DNA influence nucleosome positioning and correlate with transcription start and termination sites in yeastOzgen Deniz, Oscar Flores, Federica Battistini, et al.Pageof 50