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Items: 17

1.

Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK.

Ellingson BA, Geballe MT, Wlodek S, Bayly CI, Skillman AG, Nicholls A.

J Comput Aided Mol Des. 2014 Mar;28(3):289-98. doi: 10.1007/s10822-014-9720-8. Epub 2014 Mar 16.

2.

The SAMPL3 blind prediction challenge: transfer energy overview.

Geballe MT, Guthrie JP.

J Comput Aided Mol Des. 2012 May;26(5):489-96. doi: 10.1007/s10822-012-9568-8. Epub 2012 Apr 3.

PMID:
22476552
3.

Blind prediction of host-guest binding affinities: a new SAMPL3 challenge.

Muddana HS, Varnado CD, Bielawski CW, Urbach AR, Isaacs L, Geballe MT, Gilson MK.

J Comput Aided Mol Des. 2012 May;26(5):475-87. doi: 10.1007/s10822-012-9554-1. Epub 2012 Feb 25.

4.

The SAMPL2 blind prediction challenge: introduction and overview.

Geballe MT, Skillman AG, Nicholls A, Guthrie JP, Taylor PJ.

J Comput Aided Mol Des. 2010 Apr;24(4):259-79. doi: 10.1007/s10822-010-9350-8. Epub 2010 May 9.

PMID:
20455007
5.

SAMPL2 challenge: prediction of solvation energies and tautomer ratios.

Skillman AG, Geballe MT, Nicholls A.

J Comput Aided Mol Des. 2010 Apr;24(4):257-8. doi: 10.1007/s10822-010-9358-0. Epub 2010 Apr 28. No abstract available.

PMID:
20425136
6.

Structural determinants of D-cycloserine efficacy at the NR1/NR2C NMDA receptors.

Dravid SM, Burger PB, Prakash A, Geballe MT, Yadav R, Le P, Vellano K, Snyder JP, Traynelis SF.

J Neurosci. 2010 Feb 17;30(7):2741-54. doi: 10.1523/JNEUROSCI.5390-09.2010.

7.

Cyclostreptin and microtubules: is a low-affinity binding site required?

Prussia AJ, Yang Y, Geballe MT, Snyder JP.

Chembiochem. 2010 Jan 4;11(1):101-9. doi: 10.1002/cbic.200900538.

PMID:
19946930
8.

The serine protease plasmin cleaves the amino-terminal domain of the NR2A subunit to relieve zinc inhibition of the N-methyl-D-aspartate receptors.

Yuan H, Vance KM, Junge CE, Geballe MT, Snyder JP, Hepler JR, Yepes M, Low CM, Traynelis SF.

J Biol Chem. 2009 May 8;284(19):12862-73. doi: 10.1074/jbc.M805123200. Epub 2009 Feb 24.

9.

Structural insights into phenylethanolamines high-affinity binding site in NR2B from binding and molecular modeling studies.

Ng FM, Geballe MT, Snyder JP, Traynelis SF, Low CM.

Mol Brain. 2008 Nov 18;1:16. doi: 10.1186/1756-6606-1-16.

10.

Modulation of glycine potency in rat recombinant NMDA receptors containing chimeric NR2A/2D subunits expressed in Xenopus laevis oocytes.

Chen PE, Geballe MT, Katz E, Erreger K, Livesey MR, O'Toole KK, Le P, Lee CJ, Snyder JP, Traynelis SF, Wyllie DJ.

J Physiol. 2008 Jan 1;586(1):227-45. Epub 2007 Oct 25.

11.

Enhanced microtubule binding and tubulin assembly properties of conformationally constrained paclitaxel derivatives.

Shanker N, Kingston DG, Ganesh T, Yang C, Alcaraz AA, Geballe MT, Banerjee A, McGee D, Snyder JP, Bane S.

Biochemistry. 2007 Oct 16;46(41):11514-27. Epub 2007 Sep 25.

PMID:
17892304
12.

Improving solubility of NR2B amino-terminal domain of N-methyl-d-aspartate receptor expressed in Escherichia coli.

Ng FM, Soh W, Geballe MT, Low CM.

Biochem Biophys Res Commun. 2007 Oct 12;362(1):69-74. doi: 10.1016/j.bbrc.2007.07.164. Epub 2007 Aug 8.

PMID:
17706601
13.

Subunit-specific agonist activity at NR2A-, NR2B-, NR2C-, and NR2D-containing N-methyl-D-aspartate glutamate receptors.

Erreger K, Geballe MT, Kristensen A, Chen PE, Hansen KB, Lee CJ, Yuan H, Le P, Lyuboslavsky PN, Micale N, Jørgensen L, Clausen RP, Wyllie DJ, Snyder JP, Traynelis SF.

Mol Pharmacol. 2007 Oct;72(4):907-20. Epub 2007 Jul 10.

PMID:
17622578
14.

Glutamate receptors: variation in structure-function coupling.

Kristensen AS, Geballe MT, Snyder JP, Traynelis SF.

Trends Pharmacol Sci. 2006 Feb;27(2):65-9. Epub 2006 Jan 6.

PMID:
16406088
15.

Mechanism of partial agonism at NMDA receptors for a conformationally restricted glutamate analog.

Erreger K, Geballe MT, Dravid SM, Snyder JP, Wyllie DJ, Traynelis SF.

J Neurosci. 2005 Aug 24;25(34):7858-66.

16.

A binding site tyrosine shapes desensitization kinetics and agonist potency at GluR2. A mutagenic, kinetic, and crystallographic study.

Holm MM, Naur P, Vestergaard B, Geballe MT, Gajhede M, Kastrup JS, Traynelis SF, Egebjerg J.

J Biol Chem. 2005 Oct 21;280(42):35469-76. Epub 2005 Aug 15.

17.

Structural features of the glutamate binding site in recombinant NR1/NR2A N-methyl-D-aspartate receptors determined by site-directed mutagenesis and molecular modeling.

Chen PE, Geballe MT, Stansfeld PJ, Johnston AR, Yuan H, Jacob AL, Snyder JP, Traynelis SF, Wyllie DJ.

Mol Pharmacol. 2005 May;67(5):1470-84. Epub 2005 Feb 9.

PMID:
15703381

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