Concepedia

S-(+)-Pentedrone and R-(+)-methylone as the most oxidative and cytotoxic enantiomers to dopaminergic SH-SY5Y cells: Role of MRP1 and P-gp in cathinones enantioselectivity

Bárbara Silva, Andreia Palmeira, Renata Silva, Carla Fernandes, Paula Guedes de Pinho, Fernando Remião

Toxicology and Applied Pharmacology · 2021 · 22 citations · 53 references

DOI

Concepts

References

53

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

, , +17

Ligand docking and binding site analysis with PyMOL and Autodock/Vina

Daniel Seeliger, Bert L. de Groot · Journal of Computer-Aided Molecular Design · 2010 · 2.6K citations · Full text

, , +14

Using AutoDock for Ligand‐Receptor Docking

Garrett M. Morris, Ruth Huey, Arthur J. Olson · Current Protocols in Bioinformatics · 2008 · 1.2K citations

, , +17

Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug Discovery

Santiago Vilar, Giorgio Cozza, Stefano Moro · Current Topics in Medicinal Chemistry · 2008 · 1.2K citations

, , +16

Methods of Protein Structure Comparison

Irina Kufareva, Ruben Abagyan · Methods in molecular biology · 2011 · 738 citations

, , +12