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Items: 18

1.

Presenting data in such a fashion that they can be used by other scientists.

Guthrie JP.

J Comput Aided Mol Des. 2015 Sep;29(9):837-46. doi: 10.1007/s10822-015-9868-x. Epub 2015 Sep 22.

PMID:
26395267
2.

FreeSolv: a database of experimental and calculated hydration free energies, with input files.

Mobley DL, Guthrie JP.

J Comput Aided Mol Des. 2014 Jul;28(7):711-20. doi: 10.1007/s10822-014-9747-x. Epub 2014 Jun 14.

3.

SAMPL4, a blind challenge for computational solvation free energies: the compounds considered.

Guthrie JP.

J Comput Aided Mol Des. 2014 Mar;28(3):151-68. doi: 10.1007/s10822-014-9738-y. Epub 2014 Apr 6.

PMID:
24706106
4.

Blind prediction of solvation free energies from the SAMPL4 challenge.

Mobley DL, Wymer KL, Lim NM, Guthrie JP.

J Comput Aided Mol Des. 2014 Mar;28(3):135-50. doi: 10.1007/s10822-014-9718-2. Epub 2014 Mar 11. Review.

5.

Attack rate of Chlamydia-induced reactive arthritis and effect of the CCR5-Delta-32 mutation: a prospective analysis.

Carter JD, Rehman A, Guthrie JP, Gerard HC, Stanich J, Hudson AP.

J Rheumatol. 2013 Sep;40(9):1578-82. doi: 10.3899/jrheum.130136. Epub 2013 Jul 1.

PMID:
23818716
6.

Click fleximers: a modular approach to purine base-expanded ribonucleoside analogues.

St Amant AH, Bean LA, Guthrie JP, Hudson RH.

Org Biomol Chem. 2012 Aug 28;10(32):6521-5. doi: 10.1039/c2ob25678a. Epub 2012 Jul 3.

PMID:
22752020
7.

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
8.

Executive turnover: the influence of dispersion and other pay system characteristics.

Messersmith JG, Guthrie JP, Ji YY, Lee JY.

J Appl Psychol. 2011 May;96(3):457-69. doi: 10.1037/a0021654.

PMID:
21142347
9.

Marcus analysis of ambident reactivity.

Breugst M, Zipse H, Guthrie JP, Mayr H.

Angew Chem Int Ed Engl. 2010 Jul 12;49(30):5165-9. doi: 10.1002/anie.201001574. No abstract available.

PMID:
20568073
10.

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
11.

A blind challenge for computational solvation free energies: introduction and overview.

Guthrie JP.

J Phys Chem B. 2009 Apr 9;113(14):4501-7. doi: 10.1021/jp806724u.

PMID:
19338360
12.

By how much is protonated benzene stabilized by coordination of iron tricarbonyl?

Galvin M, Guthrie JP, McDonnell CM, O'Ferrall RA, Pelet S.

J Am Chem Soc. 2009 Jan 14;131(1):34-5. doi: 10.1021/ja807259v.

PMID:
19093861
13.

Predicting small-molecule solvation free energies: an informal blind test for computational chemistry.

Nicholls A, Mobley DL, Guthrie JP, Chodera JD, Bayly CI, Cooper MD, Pande VS.

J Med Chem. 2008 Feb 28;51(4):769-79. doi: 10.1021/jm070549+. Epub 2008 Jan 24.

PMID:
18215013
14.
16.

Short strong hydrogen bonds: can they explain enzymic catalysis?

Guthrie JP.

Chem Biol. 1996 Mar;3(3):163-70. Review.

17.

A mutation which changes a membrane protein of E. coli.

Inouye M, Guthrie JP.

Proc Natl Acad Sci U S A. 1969 Nov;64(3):957-61.

18.

Acetoacetate decarboxylase. Reaction with acetopyruvate.

Tagaki W, Guthrie JP, Westheimer FH.

Biochemistry. 1968 Mar;7(3):905-13. No abstract available.

PMID:
5657855

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