Head-Gordon T - Search Results

1

Bhowmick A, Brookes DH, Yost SR, Dyson HJ, Forman-Kay JD, Gunter D, Head-Gordon M, Hura GL, Pande VS, Wemmer DE, Wright PE, Head-Gordon T. Bhowmick A, et al. J Am Chem Soc. 2016 Aug 10;138(31):9730-42. doi: 10.1021/jacs.6b06543. Epub 2016 Jul 19. J Am Chem Soc. 2016. PMID: 27387657 Free PMC article.

2

Structure and dynamics of the Abeta(21-30) peptide from the interplay of NMR experiments and molecular simulations.

Fawzi NL, Phillips AH, Ruscio JZ, Doucleff M, Wemmer DE, Head-Gordon T. Fawzi NL, et al. J Am Chem Soc. 2008 May 14;130(19):6145-58. doi: 10.1021/ja710366c. Epub 2008 Apr 16. J Am Chem Soc. 2008. PMID: 18412346 Free PMC article.

3

Current status of the AMOEBA polarizable force field.

Ponder JW, Wu C, Ren P, Pande VS, Chodera JD, Schnieders MJ, Haque I, Mobley DL, Lambrecht DS, DiStasio RA Jr, Head-Gordon M, Clark GN, Johnson ME, Head-Gordon T. Ponder JW, et al. J Phys Chem B. 2010 Mar 4;114(8):2549-64. doi: 10.1021/jp910674d. J Phys Chem B. 2010. PMID: 20136072 Free PMC article.

4

Simulated photoelectron spectra of the cyanide-water anion via quasiclassical molecular dynamics.

Lambrecht DS, Clark GN, Head-Gordon T, Head-Gordon M. Lambrecht DS, et al. J Phys Chem A. 2011 Jun 16;115(23):5928-35. doi: 10.1021/jp110334w. Epub 2011 Mar 15. J Phys Chem A. 2011. PMID: 21405045

5

Homogeneous and heterogeneous tertiary structure ensembles of amyloid-β peptides.

Ball KA, Phillips AH, Nerenberg PS, Fawzi NL, Wemmer DE, Head-Gordon T. Ball KA, et al. Biochemistry. 2011 Sep 6;50(35):7612-28. doi: 10.1021/bi200732x. Epub 2011 Aug 15. Biochemistry. 2011. PMID: 21797254 Free PMC article.

6

Exploring the rich energy landscape of sulfate-water clusters SO4(2-) (H2O)(n=3-7): an electronic structure approach.

Lambrecht DS, Clark GN, Head-Gordon T, Head-Gordon M. Lambrecht DS, et al. J Phys Chem A. 2011 Oct 20;115(41):11438-54. doi: 10.1021/jp206064n. Epub 2011 Sep 2. J Phys Chem A. 2011. PMID: 21888323

7

Systematic improvement of a classical molecular model of water.

Wang LP, Head-Gordon T, Ponder JW, Ren P, Chodera JD, Eastman PK, Martinez TJ, Pande VS. Wang LP, et al. J Phys Chem B. 2013 Aug 29;117(34):9956-72. doi: 10.1021/jp403802c. Epub 2013 Aug 14. J Phys Chem B. 2013. PMID: 23750713 Free PMC article.

8

Differences in β-strand populations of monomeric Aβ40 and Aβ42.

Ball KA, Phillips AH, Wemmer DE, Head-Gordon T. Ball KA, et al. Biophys J. 2013 Jun 18;104(12):2714-24. doi: 10.1016/j.bpj.2013.04.056. Biophys J. 2013. PMID: 23790380 Free PMC article.

9

Comparison of structure determination methods for intrinsically disordered amyloid-β peptides.

Ball KA, Wemmer DE, Head-Gordon T. Ball KA, et al. J Phys Chem B. 2014 Jun 19;118(24):6405-16. doi: 10.1021/jp410275y. Epub 2014 Jan 28. J Phys Chem B. 2014. PMID: 24410358 Free PMC article.

10

Role of hydrophilicity and length of diblock arms for determining star polymer physical properties.

Felberg LE, Brookes DH, Head-Gordon T, Rice JE, Swope WC. Felberg LE, et al. J Phys Chem B. 2015 Jan 22;119(3):944-57. doi: 10.1021/jp506203k. Epub 2014 Sep 25. J Phys Chem B. 2015. PMID: 25254622

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