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Scientific Data|September 12, 2019
BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflowsPau Andrio, Adam Hospital, Javier Conejero, et al.Journal of Medicinal Chemistry|September 9, 2021
Structure-Based Design and Discovery of Pyridyl-Bearing Fused Bicyclic HIV-1 Inhibitors: Synthesis, Biological Characterization, and Molecular Modeling StudiesBoshi Huang, Tiziana Ginex, F Javier Luque, et al.Bioorganic & Medicinal Chemistry|April 15, 2004
Synthesis, biological evaluation and molecular modelling of diversely functionalized heterocyclic derivatives as inhibitors of acetylcholinesterase/butyrylcholinesterase and modulators of Ca2+ channels and nicotinic receptorsJosé L Marco, Cristóbal de los Ríos, Antonio G García, et al.Drug Discovery Today|August 22, 2022
The current status of COVID-19 vaccines. A scoping reviewManuel Rueda-Fernández, Lucía Melguizo-Rodríguez, Víctor J Costela-Ruiz, et al.Nature Communications|December 1, 2023
Structural basis of a redox-dependent conformational switch that regulates the stress kinase p38αJoan Pous, Blazej Baginski, Pau Martin-Malpartida, et al.Biorxiv : the Preprint Server for Biology|December 3, 2025
Near-atomistic simulations reveal the molecular principles that control chromatin structure and phase separationKieran Russell, Yifang Chen, Jorge R Espinosa, et al.Biochemistry|April 12, 2011
Role of the distal hydrogen-bonding network in regulating oxygen affinity in the truncated hemoglobin III from Campylobacter jejuniPau Arroyo Mañez, Changyuan Lu, Leonardo Boechi, et al.European Journal of Medicinal Chemistry|July 13, 2014
Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologiesOrnella Di Pietro, F Javier Pérez-Areales, Jordi Juárez-Jiménez, et al.Plos One|November 14, 2015
Interaction of the N-(3-Methylpyridin-2-yl)amide Derivatives of Flurbiprofen and Ibuprofen with FAAH: Enantiomeric Selectivity and Binding ModeJessica Karlsson, Carmine M Morgillo, Alessandro Deplano, et al.Journal of Medicinal Chemistry|July 17, 2015
Novel Levetiracetam Derivatives That Are Effective against the Alzheimer-like Phenotype in Mice: Synthesis, in Vitro, ex Vivo, and in Vivo Efficacy StudiesIrene Sola, Ester Aso, Daniela Frattini, et al.Pageof 50