Concepedia

BRUTUS: Optimization of a grid-based similarity function for rigid-body molecular superposition. II. Description and characterization

Toni Rönkkö, Anu J. Tervo, Jussi Parkkinen, Antti Poso

Journal of Computer-Aided Molecular Design · 2006 · 21 citations · 25 references

DOI

Concepts

References

25

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

Molecular Modelling: Principles and Applications

José Ramón Valverde · Briefings in Bioinformatics · 2001 · 1.9K citations · Full text

, , +9

A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape

Jennifer Grant, M.A. Gallardo, Barry T. Pickup · Journal of Computational Chemistry · 1996 · 509 citations

, , +10

An alternative method for the alignment of molecular structures: Maximizing electrostatic and steric overlap

Simon K. Kearsley, Graham Smith · Tetrahedron Computer Methodology · 1990 · 312 citations

, , +10

Molecular similarity based on electrostatic potential and electric field

Edward E. Hodgkin, W. Graham Richards · International Journal of Quantum Chemistry · 1987 · 312 citations

, , +17