Concepedia

The 3D-QSAR study of 110 diverse, dual binding, acetylcholinesterase inhibitors based on alignment independent descriptors (GRIND-2). The effects of conformation on predictive power and interpretability of the models

Maja Vitorović-Todorović, Ilija Cvijetić, Ivan O. Juranić, Branko J. Drakulić

Journal of Molecular Graphics and Modelling · 2012 · 22 citations · 54 references

DOIFull text

Open access

Concepts

References

54

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

A new and rapid colorimetric determination of acetylcholinesterase activity

George L. Ellman, K. Diane Courtney, Valentino Andres et al. · Biochemical Pharmacology · 1961 · 26.9K citations

, , +14

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

Richard D. Cramer, David E. Patterson, Jeffrey D. Bunce · Journal of the American Chemical Society · 1988 · 3.9K citations

, , +14

Beware of q2!

Alexander Golbraikh, Alexander Tropsha · Journal of Molecular Graphics and Modelling · 2002 · 3.7K citations

Atomic Structure of Acetylcholinesterase from <i>Torpedo californica</i> : A Prototypic Acetylcholine-Binding Protein

Joel L. Sussman, Michal Harel, Felix Frolow et al. · Science · 1991 · 2.7K citations

, , +17