Concepedia

Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma

David Smil, Jong Fu Wong, R.J. Adamson, Alison Howarth, David McLeod, Ahmed Mamai, Soyoung Kim, Brian J. Wilson, Taira Kiyota, Ahmed Aman,

Journal of Medicinal Chemistry · 2020 · 18 citations · 46 references

DOIFull text

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Concepts

Abstract

pharmacokinetic (PK) properties and tolerability mark these inhibitors as advanced preclinical compounds suitable for further development and evaluation in orthotopic models of DIPG.

References

46

<i>Coot</i>: model-building tools for molecular graphics

Paul Emsley, Kevin Cowtan · Acta Crystallographica Section D Biological Crystallography · 2004 · 31.4K citations · Full text

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<i>PHENIX</i>: a comprehensive Python-based system for macromolecular structure solution

Paul D. Adams, Pavel V. Afonine, G. Bunkóczi et al. · Acta Crystallographica Section D Biological Crystallography · 2010 · 24.5K citations · Full text

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<i>Phaser</i>crystallographic software

Airlie J. McCoy, Ralf W. Grosse‐Kunstleve, Paul D. Adams et al. · Journal of Applied Crystallography · 2007 · 20.9K citations · Full text

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Overview of the<i>CCP</i>4 suite and current developments

Martyn Winn, Charles Ballard, Kevin Cowtan et al. · Acta Crystallographica Section D Biological Crystallography · 2011 · 12.6K citations · Full text

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MolProbity: all-atom contacts and structure validation for proteins and nucleic acids

Ian Davis, Andrew Leaver‐Fay, V. B. Chen et al. · Nucleic Acids Research · 2007 · 4K citations · Full text

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