BibliographyΒΆ

Grant-1996
A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape
Grant, J.A., Gallardo, M.A., Pickup, B.,
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Hawkins-2007
Comparison of Shape-Matching and Docking as Virtual Screening Tools
Hawkins, P.C.D., Skillman, A.G., Nicholls, A., J.
Med. Chem., 2007, 50, 74.
Rush-2005
A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction
Rush, T.S., Grant, J.A., Mosyak, L., Nicholls, A.,
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Sheridan-2008
Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results
Sheridan, R.P., McGaughey, G.B., Cornell, W.D.,
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Sutherland-2007
Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy
Sutherland, J.J., Nandigam, R.K., Erickson, J.A., Vieth, M.
J. Chem., Inf. Model, 2007, 47, 2293.
Venhorst-2008
Assessment of Scaffold Hopping Efficiency by Use of Molecular Interaction Fingerprints
Venhorst, J., Nunez, S., Terpstra, J.W., Kruse, C.G.,
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