Concepedia

A comprehensive structure–activity analysis of protein kinase B-alpha (Akt1) inhibitors

Subhash Ajmani, Avantika Agrawal, Sudhir A. Kulkarni

Journal of Molecular Graphics and Modelling · 2010 · 37 citations · 31 references

DOI

Concepts

References

31

Optimization by Simulated Annealing

Scott Kirkpatrick, C. D. Gelatt, M.P. Vecchi · Science · 1983 · 44.6K citations

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The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses

Svante Wold, Axel Ruhe, Herman Wold et al. · SIAM Journal on Scientific and Statistical Computing · 1984 · 2.5K citations

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BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

Tianbo Liu, Yu‐Ting Lin, X. Wen et al. · Nucleic Acids Research · 2006 · 2.1K citations · Full text

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Allosteric Akt (PKB) inhibitors: discovery and SAR of isozyme selective inhibitors

Craig W. Lindsley, Zhijian Zhao, William Leister et al. · Bioorganic & Medicinal Chemistry Letters · 2004 · 501 citations · Full text

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Novel Variable Selection Quantitative Structure−Property Relationship Approach Based on the<i>k</i>-Nearest-Neighbor Principle

Weifan Zheng, Alexander Tropsha · Journal of Chemical Information and Computer Sciences · 1999 · 451 citations

, , +17