Practical Considerations and Guidelines for Spectral Referencing for Fluorine NMR Ligand Screening

por Ayotte, Yann, Woo, Simon, LaPlante, Steven R.
Publicado 2022

Theoretical Investigation of Repurposed Drugs Potentially Capable of Binding to the Catalytic Site and the Secondary Binding Pocket of Subunit A of Ricin

por França, Tanos C. C., Botelho, Fernanda D., Drummond, Michael L., LaPlante, Steven R.
Publicado 2022

Revealing Drug Self-Associations into Nano-Entities

por Dlim, Marwa M., Shahout, Fatma S., Khabir, Marwa K., Labonté, Patrick P., LaPlante, Steven R.
Publicado 2019

Modeling studies on the role of vitamins B1 (thiamin), B3 (nicotinamide), B6 (pyridoxamine), and caffeine as potential leads for the drug design against COVID-19

por Aghamohammadi, Mohammad, Sirouspour, Mehdi, Goncalves, Arlan S., França, Tanos Celmar Costa, LaPlante, Steven R., Shahdousti, Parvin
Publicado 2022

Determining the Predominant Conformations of Mortiamides A–D in Solution Using NMR Data and Molecular Modeling Tools

por Franca, Tanos C. C., Goncalves, Arlan da Silva, Bérubé, Christopher, Voyer, Normand, Aubry, Norman, LaPlante, Steven R.
Publicado 2023

Reactivation of VX-Inhibited Human Acetylcholinesterase by Deprotonated Pralidoxime. A Complementary Quantum Mechanical Study

por da Silva, Jorge Alberto Valle, Pereira, Ander Francisco, LaPlante, Steven R., Kuca, Kamil, Ramalho, Teodorico Castro, França, Tanos Celmar Costa
Publicado 2020

Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors

por Botelho, Fernanda D., dos Santos, Marcelo C., Gonçalves, Arlan da S., Kuca, Kamil, Valis, Martin, LaPlante, Steven R., França, Tanos C. C., de Almeida, Joyce S. F. D.
Publicado 2020

Robust Strategy for Hit-to-Lead Discovery: NMR for SAR

por Larda, Sacha T., Ayotte, Yann, Denk, Maria M., Coote, Paul, Heffron, Gregory, Bendahan, David, Shahout, Fatma, Girard, Nicolas, Iddir, Mustapha, Bouchard, Patricia, Bilodeau, Francois, Woo, Simon, Farmer, Luc J., LaPlante, Steven R.
Publicado 2023

Molecular modeling study of natural products as potential bioactive compounds against SARS-CoV-2

por Ribeiro, Rayssa, Botelho, Fernanda D., Pinto, Amanda M. V., La Torre, Antonia M. A., Almeida, Joyce S. F. D., LaPlante, Steven R., Franca, Tanos C. C., Veiga-Junior, Valdir F., dos Santos, Marcelo C.
Publicado 2023

N-Phenylpyridine-3-Carboxamide and 6-Acetyl-1H-Indazole Inhibit the RNA Replication Step of the Dengue Virus Life Cycle

por Sow, Aïssatou Aïcha, Pahmeier, Felix, Ayotte, Yann, Anton, Anaïs, Mazeaud, Clément, Charpentier, Tania, Angelo, Léna, Woo, Simon, Cerikan, Berati, Falzarano, Darryl, Abrahamyan, Levon, Lamarre, Alain, Labonté, Patrick, Cortese, Mirko, Bartenschlager, Ralf, LaPlante, Steven R., Chatel-Chaix, Laurent
Publicado 2023