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Items: 5

1.

Ensemble docking to difficult targets in early-stage drug discovery: Methodology and application to fibroblast growth factor 23.

Velazquez HA, Riccardi D, Xiao Z, Quarles LD, Yates CR, Baudry J, Smith JC.

Chem Biol Drug Des. 2018 Feb;91(2):491-504. doi: 10.1111/cbdd.13110. Epub 2017 Nov 3.

PMID:
28944571
2.

A computationally identified compound antagonizes excess FGF-23 signaling in renal tubules and a mouse model of hypophosphatemia.

Xiao Z, Riccardi D, Velazquez HA, Chin AL, Yates CR, Carrick JD, Smith JC, Baudry J, Quarles LD.

Sci Signal. 2016 Nov 22;9(455):ra113. Erratum in: Sci Signal. 2016 Dec 06;9(457):er3.

3.

Dynamical role of phosphorylation on serine/threonine-proline Pin1 substrates from constant force molecular dynamics simulations.

Velazquez HA, Hamelberg D.

J Chem Phys. 2015 Feb 21;142(7):075102. doi: 10.1063/1.4907884.

PMID:
25702031
4.

Conformation-directed catalysis and coupled enzyme-substrate dynamics in Pin1 phosphorylation-dependent cis-trans isomerase.

Velazquez HA, Hamelberg D.

J Phys Chem B. 2013 Oct 3;117(39):11509-17. doi: 10.1021/jp405271s. Epub 2013 Sep 17.

PMID:
23980573
5.

Conformational selection in the recognition of phosphorylated substrates by the catalytic domain of human Pin1.

Velazquez HA, Hamelberg D.

Biochemistry. 2011 Nov 8;50(44):9605-15. doi: 10.1021/bi2009954. Epub 2011 Oct 11.

PMID:
21967280

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