Clavaguera C - Search Results

1

IRMPD spectroscopy of a protonated, phosphorylated dipeptide.

Correia CF, Clavaguera C, Erlekam U, Scuderi D, Ohanessian G. Correia CF, et al. Among authors: clavaguera c. Chemphyschem. 2008 Dec 1;9(17):2564-73. doi: 10.1002/cphc.200800469. Chemphyschem. 2008. PMID: 18979489

2

Electronic spectrum of tryptophan-phenylalanine. A correlated ab initio and time-dependent density functional theory study.

Clavaguéra C, Piuzzi F, Dognon JP. Clavaguéra C, et al. J Phys Chem B. 2009 Dec 24;113(51):16443-8. doi: 10.1021/jp906969n. J Phys Chem B. 2009. PMID: 19938819

3

Structure of sodiated octa-glycine: IRMPD spectroscopy and molecular modeling.

Semrouni D, Balaj OP, Calvo F, Correia CF, Clavaguéra C, Ohanessian G. Semrouni D, et al. Among authors: clavaguera c. J Am Soc Mass Spectrom. 2010 May;21(5):728-38. doi: 10.1016/j.jasms.2010.01.029. Epub 2010 Feb 1. J Am Soc Mass Spectrom. 2010. PMID: 20189824 Free article.

4

Structural, energetic and dynamical properties of sodiated oligoglycines: relevance of a polarizable force field.

Semrouni D, Ohanessian G, Clavaguéra C. Semrouni D, et al. Among authors: clavaguera c. Phys Chem Chem Phys. 2010 Apr 14;12(14):3450-62. doi: 10.1039/b924317h. Phys Chem Chem Phys. 2010. PMID: 20355287

5

Free energy simulations of a GTPase: GTP and GDP binding to archaeal initiation factor 2.

Satpati P, Clavaguéra C, Ohanessian G, Simonson T. Satpati P, et al. Among authors: clavaguera c. J Phys Chem B. 2011 May 26;115(20):6749-63. doi: 10.1021/jp201934p. Epub 2011 May 2. J Phys Chem B. 2011. PMID: 21534562 Free PMC article.

6

Structures and IR spectra of the Gramicidin S peptide: pushing the quest for low-energy conformations.

Joshi K, Semrouni D, Ohanessian G, Clavaguéra C. Joshi K, et al. Among authors: clavaguera c. J Phys Chem B. 2012 Jan 12;116(1):483-90. doi: 10.1021/jp207102v. Epub 2011 Dec 9. J Phys Chem B. 2012. PMID: 22087728

7

Structure of sodiated polyglycines.

Balaj OP, Semrouni D, Steinmetz V, Nicol E, Clavaguéra C, Ohanessian G. Balaj OP, et al. Among authors: clavaguera c. Chemistry. 2012 Apr 10;18(15):4583-92. doi: 10.1002/chem.201102812. Epub 2012 Mar 2. Chemistry. 2012. PMID: 22389058

8

Relationship between conformational dynamics and electron transfer in a desolvated peptide. Part I. Structures.

Semrouni D, Clavaguéra C, Ohanessian G, Parks JH. Semrouni D, et al. Among authors: clavaguera c. J Phys Chem B. 2013 Feb 14;117(6):1746-55. doi: 10.1021/jp3078375. Epub 2013 Feb 1. J Phys Chem B. 2013. PMID: 23297778

9

Relationship between conformational dynamics and electron transfer in a desolvated peptide. Part II. Temperature dependence.

Parks JH, Semrouni D, Clavaguéra C, Ohanessian G. Parks JH, et al. Among authors: clavaguera c. J Phys Chem B. 2013 Feb 14;117(6):1756-69. doi: 10.1021/jp3078437. Epub 2013 Feb 1. J Phys Chem B. 2013. PMID: 23297809

10

Accuracy of density functionals in the description of dispersion interactions and IR spectra of phosphates and phosphorylated compounds.

Sharma A, Ohanessian G, Clavaguéra C. Sharma A, et al. Among authors: clavaguera c. J Mol Model. 2014 Sep;20(9):2426. doi: 10.1007/s00894-014-2426-y. Epub 2014 Aug 22. J Mol Model. 2014. PMID: 25146430

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