Roitberg A - Search Results

1

Structural Study of a Flexible Active Site Loop in Human Indoleamine 2,3-Dioxygenase and Its Functional Implications.

Álvarez L, Lewis-Ballester A, Roitberg A, Estrin DA, Yeh SR, Marti MA, Capece L. Álvarez L, et al. Among authors: roitberg a. Biochemistry. 2016 May 17;55(19):2785-93. doi: 10.1021/acs.biochem.6b00077. Epub 2016 May 6. Biochemistry. 2016. PMID: 27112409 Free PMC article.

2

Multiple-steering QM-MM calculation of the free energy profile in chorismate mutase.

Crespo A, Martí MA, Estrin DA, Roitberg AE. Crespo A, et al. Among authors: roitberg ae. J Am Chem Soc. 2005 May 18;127(19):6940-1. doi: 10.1021/ja0452830. J Am Chem Soc. 2005. PMID: 15884923

3

The catalytic mechanism of peptidylglycine alpha-hydroxylating monooxygenase investigated by computer simulation.

Crespo A, Martí MA, Roitberg AE, Amzel LM, Estrin DA. Crespo A, et al. Among authors: roitberg ae. J Am Chem Soc. 2006 Oct 4;128(39):12817-28. doi: 10.1021/ja062876x. J Am Chem Soc. 2006. PMID: 17002377

4

Bond or cage effect: how nitrophorins transport and release nitric oxide.

Martí MA, González Lebrero MC, Roitberg AE, Estrin DA. Martí MA, et al. Among authors: roitberg ae. J Am Chem Soc. 2008 Feb 6;130(5):1611-8. doi: 10.1021/ja075565a. Epub 2008 Jan 12. J Am Chem Soc. 2008. PMID: 18189390

5

pH-dependent mechanism of nitric oxide release in nitrophorins 2 and 4.

Swails JM, Meng Y, Walker FA, Marti MA, Estrin DA, Roitberg AE. Swails JM, et al. Among authors: roitberg ae. J Phys Chem B. 2009 Jan 29;113(4):1192-201. doi: 10.1021/jp806906x. J Phys Chem B. 2009. PMID: 19159340 Free PMC article.

6

Molecular basis for the pH dependent structural transition of Nitrophorin 4.

Martí MA, Estrin DA, Roitberg AE. Martí MA, et al. Among authors: roitberg ae. J Phys Chem B. 2009 Feb 19;113(7):2135-42. doi: 10.1021/jp808055e. J Phys Chem B. 2009. PMID: 19170552

7

Modulation of catalytic function by differential plasticity of the active site: case study of Trypanosoma cruzi trans-sialidase and Trypanosoma rangeli sialidase.

Demir O, Roitberg AE. Demir O, et al. Biochemistry. 2009 Apr 21;48(15):3398-406. doi: 10.1021/bi802230y. Biochemistry. 2009. PMID: 19216574 Free PMC article.

8

Computational studies of ammonia channel function in glutamine 5'-phosphoribosylpyrophosphate amidotransferase.

Wang XS, Roitberg AE, Richards NG. Wang XS, et al. Biochemistry. 2009 Dec 29;48(51):12272-82. doi: 10.1021/bi901521d. Biochemistry. 2009. PMID: 19921932

9

Substrate stereo-specificity in tryptophan dioxygenase and indoleamine 2,3-dioxygenase.

Capece L, Arrar M, Roitberg AE, Yeh SR, Marti MA, Estrin DA. Capece L, et al. Among authors: roitberg ae. Proteins. 2010 Nov 1;78(14):2961-72. doi: 10.1002/prot.22819. Proteins. 2010. PMID: 20715188 Free PMC article.

10

Proton transfer facilitated by ligand binding. An energetic analysis of the catalytic mechanism of Trypanosoma cruzi trans-sialidase.

Pierdominici-Sottile G, Roitberg AE. Pierdominici-Sottile G, et al. Biochemistry. 2011 Feb 8;50(5):836-42. doi: 10.1021/bi101648z. Epub 2011 Jan 11. Biochemistry. 2011. PMID: 21162542 Free PMC article.

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