Concepedia

5-Benzylidene-hydantoin is a new scaffold for SIRT inhibition: From virtual screening to activity assays

Lionel Sacconnay, Lucie Ryckewaert, Giuseppe Marco Randazzo, Charlotte Petit, Carolina dos Santos Passos, Jelena Jachno, Vilma Michailovienė, Asta Zubrienė, Daumantas Matulis, Pierre‐Alain Carrupt,

European Journal of Pharmaceutical Sciences · 2016 · 18 citations · 59 references

DOI

Concepts

References

59

Scikit-learn: Machine Learning in Python

Fabián Pedregosa, Gaël Varoquaux, Alexandre Gramfort et al. · arXiv (Cornell University) · 2012 · 63.7K citations · Full text

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Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.5K citations

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Open Babel: An open chemical toolbox

Noel M. O’Boyle, Michael Banck, Craig A. James et al. · Journal of Cheminformatics · 2011 · 11.1K citations · Full text

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New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

Jonathan B. Baell, Georgina A. Holloway · Journal of Medicinal Chemistry · 2010 · 3.9K citations

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