Concepedia

Virtual and biomolecular screening converge on a selective agonist for GPR30

Cristian Bologa, Chetana M. Revankar, Susan Young, Bruce S. Edwards, Jeffrey B. Arterburn, Alexander S. Kiselyov, Matthew A. Parker, Sergey E. Tkachenko, Nikolay P Savchuck, Larry A. Sklar,

Nature Chemical Biology · 2006 · 814 citations · 19 references

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References

19

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.8K citations

, , +17

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

David Weininger · Journal of Chemical Information and Computer Sciences · 1988 · 7.6K citations

, , +5

Features of similarity.

Amos Tversky · Psychological Review · 1977 · 7.3K citations

, , +11

A Simple Statistical Parameter for Use in Evaluation and Validation of High Throughput Screening Assays

Ji-Hu Zhang, Thomas D.Y. Chung, Kevin R. Oldenburg · SLAS DISCOVERY · 1999 · 7K citations · Full text

, , +16

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

P. J. Goodford · Journal of Medicinal Chemistry · 1985 · 2.6K citations

, , +17