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Plos One|May 16, 2017
Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitorsOrnella Di Pietro, Jordi Juárez-Jiménez, Diego Muñoz-Torrero, et al.
Plos One|December 22, 2017
Correction: Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitorsOrnella Di Pietro, Jordi Juárez-Jiménez, Diego Muñoz-Torrero, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 29, 2010
Boron-based dipolar multicomponent reactions: simple generation of substituted aziridines, oxazolidines and pyrrolidinesNicola Kielland, Federica Catti, Davide Bello, et al.
Phytochemistry|August 13, 2013
Wild daffodils of the section Ganymedes from the Iberian Peninsula as a source of mesembrane alkaloidsNatalia B Pigni, Segundo Ríos-Ruiz, F Javier Luque, et al.
Chemmedchem|February 21, 2019
DUckCov: a Dynamic Undocking-Based Virtual Screening Protocol for Covalent BindersMoira Rachman, Andrea Scarpino, Dávid Bajusz, et al.
Molecules (Basel, Switzerland)|December 15, 2018
Solvents to Fragments to Drugs: MD Applications in Drug DesignLucas A Defelipe, Juan Pablo Arcon, Carlos P Modenutti, et al.
The Journal of Organic Chemistry|December 4, 2004
Conjugate additions to phenylglycinol-derived unsaturated delta-lactams. Enantioselective synthesis of uleine alkaloidsMercedes Amat, Maria Pérez, Núria Llor, et al.
Database : the Journal of Biological Databases and Curation|May 13, 2014
TuberQ: a Mycobacterium tuberculosis protein druggability databaseLeandro Radusky, Lucas A Defelipe, Esteban Lanzarotti, et al.
Bioorganic Chemistry|February 29, 2024
Targeting dihydroceramide desaturase 1 (Des1): Syntheses of ceramide analogues with a rigid scaffold, inhibitory assays, and AlphaFold2-assisted structural insights reveal cyclopropenone PR280 as a potent inhibitorPablo Rivero, Varbina Ivanova, Xavier Barril, et al.
Journal of Molecular Modeling|August 3, 2010
Reactivity versus steric effects in fluorinated ketones as esterase inhibitors: a quantum mechanical and molecular dynamics studyJosep Rayo, Lourdes Muñoz, Gloria Rosell, et al.
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