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International Journal of Molecular Sciences|May 14, 2022
Development of an Automatic Pipeline for Participation in the CELPP ChallengeMarina Miñarro-Lleonar, Sergio Ruiz-Carmona, Daniel Alvarez-Garcia, et al.Journal of Molecular Modeling|October 7, 2006
A hydrophobic similarity analysis of solvation effects on nucleic acid basesJordi Muñoz-Muriedas, Xavier Barril, José María López, et al.Journal of Medicinal Chemistry|April 21, 2023
Lenalidomide Stabilizes Protein-Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust InteractionsMarina Miñarro-Lleonar, Andrea Bertran-Mostazo, Jorge Duro, et al.Plos Computational Biology|June 30, 2017
Detecting similar binding pockets to enable systems polypharmacologyMiquel Duran-Frigola, Lydia Siragusa, Eytan Ruppin, et al.Bioorganic & Medicinal Chemistry Letters|October 6, 2005
Structure-based discovery of a new class of Hsp90 inhibitorsXavier Barril, Paul Brough, Martin Drysdale, et al.Journal of Chemical Information and Modeling|July 13, 2017
LigQ: A Webserver to Select and Prepare Ligands for Virtual ScreeningLeandro Radusky, Sergio Ruiz-Carmona, Carlos Modenutti, et al.Organic & Biomolecular Chemistry|November 20, 2024
Syntheses of differentially fluorinated triazole-based 1-deoxysphingosine analogues <i>en route</i> to SphK inhibitorsAdrià Cardona, Varbina Ivanova, Raúl Beltrán-Debón, 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.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.Pageof 13