Concepedia

QM/MM based 3D QSAR models for potent B-Raf inhibitors

Jaeyoon Chung, Hwan Won Chung, Seung Joo Cho, Jung‐Mi Hah, Art E. Cho

Journal of Computer-Aided Molecular Design · 2010 · 15 citations · 15 references

DOI

Concepts

References

15

Mutations of the BRAF gene in human cancer

Helen Davies, Graham R. Bignell, Charles Cox et al. · Nature · 2002 · 10.7K citations

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PLS-regression: a basic tool of chemometrics

Svante Wold, Michael Sjöstróm, Lennart Eriksson · Chemometrics and Intelligent Laboratory Systems · 2001 · 9.7K citations

, , +6

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

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Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity

G. Klebe, Ute Abraham, Thomas Mietzner · Journal of Medicinal Chemistry · 1994 · 1.8K citations

, , +13

Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach

Art E. Cho, Vı́ctor Guallar, B. J. Berne et al. · Journal of Computational Chemistry · 2005 · 410 citations

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