Csizmadia IG - Search Results

1

Network of hydrogen bonds in Pro-Ala-Pro and Pro-Phe-Pro diamides: a first principles study of Ala-->Phe point mutation in proline environment.

Wang H, Csizmadia IG, Marsi I, Chasse GA, Fang D, Viskolcz B. Wang H, et al. Among authors: csizmadia ig. J Chem Phys. 2009 Jul 21;131(3):035105. doi: 10.1063/1.3173810. J Chem Phys. 2009. PMID: 19624237

2

Molecular ageing: free radical initiated epimerization of thymopentin--a case study.

Sheykhkarimli D, Choo KL, Owen M, Fiser B, Jójárt B, Csizmadia IG, Viskolcz B. Sheykhkarimli D, et al. Among authors: csizmadia ig. J Chem Phys. 2014 May 28;140(20):205102. doi: 10.1063/1.4871684. J Chem Phys. 2014. PMID: 24880333

3

Quantifying the intrinsic effects of two point mutation models of proline-proline diamino acid diamide: a first-principle computational study.

Sahai MA, Viskolcz B, Pai EF, Csizmadia IG. Sahai MA, et al. Among authors: csizmadia ig. J Phys Chem B. 2007 Oct 4;111(39):11592-602. doi: 10.1021/jp073471h. Epub 2007 Sep 8. J Phys Chem B. 2007. PMID: 17824687

4

Quantifying the intrinsic effects of two point mutation models of pro-pro-pro triamino acid diamide. A first-principle computational study.

Sahai MA, Viskolcz B, Pai EF, Csizmadia IG. Sahai MA, et al. Among authors: csizmadia ig. J Phys Chem B. 2007 Nov 15;111(45):13135-42. doi: 10.1021/jp074046r. Epub 2007 Oct 20. J Phys Chem B. 2007. PMID: 17949073

5

Quantum chemical analysis of the unfolding of a penta-glycyl 3(10)-helix initiated by HO(●), HO2(●), and O2(-●).

Owen MC, Viskolcz B, Csizmadia IG. Owen MC, et al. Among authors: csizmadia ig. J Chem Phys. 2011 Jul 21;135(3):035101. doi: 10.1063/1.3608168. J Chem Phys. 2011. PMID: 21787023

6

The effect of a Pro²⁸Thr point mutation on the local structure and stability of human galactokinase enzyme-a theoretical study.

Jójárt B, Szori M, Izsák R, Marsi I, László A, Csizmadia IG, Viskolcz B. Jójárt B, et al. Among authors: csizmadia ig. J Mol Model. 2011 Oct;17(10):2639-49. doi: 10.1007/s00894-011-0958-y. Epub 2011 Jan 25. J Mol Model. 2011. PMID: 21264483

7

Conformation-dependent ˙OH/H2O2 hydrogen abstraction reaction cycles of Gly and Ala residues: a comparative theoretical study.

Owen MC, Szori M, Csizmadia IG, Viskolcz B. Owen MC, et al. Among authors: csizmadia ig. J Phys Chem B. 2012 Jan 26;116(3):1143-54. doi: 10.1021/jp2089559. Epub 2012 Jan 10. J Phys Chem B. 2012. PMID: 22168541

8

Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory.

Mucsi Z, Chass GA, Ábrányi-Balogh P, Jójárt B, Fang DC, Ramirez-Cuesta AJ, Viskolcz B, Csizmadia IG. Mucsi Z, et al. Among authors: csizmadia ig. Phys Chem Chem Phys. 2013 Dec 21;15(47):20447-20455. doi: 10.1039/c3cp50868d. Epub 2013 Jun 12. Phys Chem Chem Phys. 2013. PMID: 23760063

9

First principle computational study on the full conformational space of L-proline diamides.

Sahai MA, Kehoe TA, Koo JC, Setiadi DH, Chass GA, Viskolcz B, Penke B, Pai EF, Csizmadia IG. Sahai MA, et al. Among authors: csizmadia ig. J Phys Chem A. 2005 Mar 24;109(11):2660-79. doi: 10.1021/jp040594i. J Phys Chem A. 2005. PMID: 16833573

10

Nonenzymatic Pathway of PUFA Oxidation. A First-Principles Study of the Reactions of OH Radical with 1,4-Pentadiene and Arachidonic Acid.

Szori M, Csizmadia IG, Viskolcz B. Szori M, et al. Among authors: csizmadia ig. J Chem Theory Comput. 2008 Sep 9;4(9):1472-9. doi: 10.1021/ct800127a. J Chem Theory Comput. 2008. PMID: 26621433

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