Concepedia

Identification of a pyrogallol derivative as a potent and selective human TLR2 antagonist by structure-based virtual screening

Maria Grabowski, Manuela S. Murgueitio, Marcel Bermúdez, Jörg Rademann, Gerhard Wolber, Günther Weindl

Biochemical Pharmacology · 2018 · 32 citations · 29 references

DOI

Concepts

References

29

The Protein Data Bank

Helen M. Berman · Nucleic Acids Research · 2000 · 39.8K citations

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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen

Gareth Jones, Peter Willett, Robert C. Glen et al. · Journal of Molecular Biology · 1997 · 6.7K citations

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Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

Thomas A. Halgren · Journal of Computational Chemistry · 1996 · 5.3K citations

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Improved protein–ligand docking using GOLD

Marcel L. Verdonk, Jason C. Cole, Michael J. Hartshorn et al. · Proteins Structure Function and Bioinformatics · 2003 · 3K citations · Full text

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ZINC: A Free Tool to Discover Chemistry for Biology

John J. Irwin, Teague Sterling, Michael M. Mysinger et al. · Journal of Chemical Information and Modeling · 2012 · 2.6K citations · Full text

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