Luan Carvalho Martins
5PUBLICATIONS
62CO-AUTHORS
Get your video featured.
Publish with JoVEGet your video featured.
Publish with JoVE
Publications (5)
Sort by Publication Date:
|Feb 21, 2023
Experimental and Computational Study of Aryl-thiosemicarbazones Inhibiting Cruzain Reveals Reversible Inhibition and a Stepwise Mechanism.Luan Carvalho Martins, Renata Barbosa de Oliveira, Jerônimo Lameira
|Sep 28, 2022
Bespoke library docking for 5-HT2A receptor agonists with antidepressant activity.Anat Levit Kaplan, Danielle N Confair, Kuglae Kim
|Jun 18, 2021
PyAutoFEP: An Automated Free Energy Perturbation Workflow for GROMACS Integrating Enhanced Sampling Methods.Luan Carvalho Martins, Elio A Cino, Rafaela Salgado Ferreira
|Apr 15, 2021
Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.Marion Schuller, Galen J Correy, Stefan Gahbauer
|Mar 23, 2018
Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations.Luan Carvalho Martins, Pedro Henrique Monteiro Torres, Renata Barbosa de Oliveira
Pageof 1
Frequent Collaborators
3 joint publications
Rafaela Salgado Ferreira
2 joint publications
Elio A Cino
2 joint publications
Brian K Shoichet
2 joint publications
John J Irwin
1 joint publications
Pedro Henrique Monteiro Torres
1 joint publications
Renata Barbosa de Oliveira
1 joint publications
Marion Schuller
1 joint publications
Galen J Correy
1 joint publications
Jerônimo Lameira
1 joint publications
Daren Fearon
