Revealing Drug Self-Associations into Nano-Entities

por Dlim, Marwa M., Shahout, Fatma S., Khabir, Marwa K., Labonté, Patrick P., LaPlante, Steven R.
Publicado no ACS Omega (2019)

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 no Biomolecules (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 no Toxins (Basel) (2020)

Aligning Potency and Pharmacokinetic Properties for Pyridine-Based NCINIs

por Fader, Lee D., Bailey, Murray, Beaulieu, Eric, Bilodeau, François, Bonneau, Pierre, Bousquet, Yves, Carson, Rebekah J., Chabot, Catherine, Coulombe, René, Duan, Jianmin, Fenwick, Craig, Garneau, Michel, Halmos, Ted, Jakalian, Araz, James, Clint, Kawai, Stephen H., Landry, Serge, LaPlante, Steven R., Mason, Stephen W., Morin, Sebastien, Rioux, Nathalie, Simoneau, Bruno, Surprenant, Simon, Thavonekham, Bounkham, Thibeault, Carl, Trinh, Thao, Tsantrizos, Youla, Tsoung, Jennifer, Yoakim, Christiane, Wernic, Dominik
Publicado no ACS Med Chem Lett (2016)

Searching for potential drugs against SARS-CoV-2 through virtual screening on several molecular targets

por Almeida, Joyce S. F. D., Botelho, Fernanda D., de Souza, Felipe R., dos Santos, Marcelo C., Goncalves, Arlan da Silva, Rodrigues, Rodrigo L. B., Cardozo, Monique, Kitagawa, Daniel A. S., Vieira, Leandro A., Silva, Raphael S. F., Cavalcante, Samir F. A., Bastos, Leonardo da C., Nogueira, Mariana de O. T., de Santana, Priscila I. R., Brum, Juliana de O. C., Nepovimova, Eugenie, Kuca, Kamil, LaPlante, Steven R., Galante, Erick B. F., Franca, Tanos C. C.
Publicado no J Biomol Struct Dyn (2021)