Showing results (51-60 of 97) with videos related to
Sort By:
Pageof 10
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.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.RSC Medicinal Chemistry|January 22, 2021
Discovery of a novel kinase hinge binder fragment by dynamic undockingMoira Rachman, Dávid Bajusz, Anasztázia Hetényi, et al.Journal of Chemical Theory and Computation|March 17, 2021
TorchMD: A Deep Learning Framework for Molecular SimulationsStefan Doerr, Maciej Majewski, Adrià Pérez, et al.Journal of Chemical Information and Modeling|January 3, 2022
PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural NetworksAlejandro Varela-Rial, Iain Maryanow, Maciej Majewski, et al.Scientific Reports|August 4, 2021
Nucleotide-decorated AuNPs as probes for nucleotide-binding proteinsOlga Perzanowska, Maciej Majewski, Malwina Strenkowska, et al.Journal of Computer-Aided Molecular Design|July 17, 2017
Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoRYvonne Westermaier, Sergio Ruiz-Carmona, Isabelle Theret, et al.Journal of Chemical Information and Modeling|August 3, 2019
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual ScreeningJuan Pablo Arcon, Lucas A Defelipe, Elias D Lopez, et al.Journal of the American Chemical Society|May 8, 2023
Multi-Responsive Eight-State Bis(acridinium-Zn(II) porphyrin) ReceptorAmy Edo-Osagie, Dylan Serillon, Federica Ruani, et al.Pageof 10