Arrar M - Search Results

1

Structural insight into the separate roles of inositol tetraphosphate and deacetylase-activating domain in activation of histone deacetylase 3.

Arrar M, Turnham R, Pierce L, de Oliveira CA, McCammon JA. Arrar M, et al. Protein Sci. 2013 Jan;22(1):83-92. doi: 10.1002/pro.2190. Epub 2012 Nov 29. Protein Sci. 2013. PMID: 23139175 Free PMC article.

2

Inactivating mutation in histone deacetylase 3 stabilizes its active conformation.

Arrar M, de Oliveira CA, McCammon JA. Arrar M, et al. Protein Sci. 2013 Oct;22(10):1306-12. doi: 10.1002/pro.2317. Epub 2013 Aug 19. Protein Sci. 2013. PMID: 23904210 Free PMC article.

3

Accelerated adaptive integration method.

Kaus JW, Arrar M, McCammon JA. Kaus JW, et al. Among authors: arrar m. J Phys Chem B. 2014 May 15;118(19):5109-18. doi: 10.1021/jp502358y. Epub 2014 May 6. J Phys Chem B. 2014. PMID: 24780083 Free PMC article.

4

w-REXAMD: A Hamiltonian Replica Exchange Approach to Improve Free Energy Calculations for Systems with Kinetically Trapped Conformations.

Arrar M, de Oliveira CA, Fajer M, Sinko W, McCammon JA. Arrar M, et al. J Chem Theory Comput. 2013 Jan 8;9(1):18-23. doi: 10.1021/ct300896h. Epub 2012 Dec 3. J Chem Theory Comput. 2013. PMID: 23316122 Free PMC article.

5

Understanding the molecular basis of the high oxygen affinity variant human hemoglobin Coimbra.

Jorge SE, Bringas M, Petruk AA, Arrar M, Marti MA, Skaf MS, Costa FF, Capece L, Sonati MF, Estrin D. Jorge SE, et al. Among authors: arrar m. Arch Biochem Biophys. 2018 Jan 1;637:73-78. doi: 10.1016/j.abb.2017.11.010. Epub 2017 Dec 1. Arch Biochem Biophys. 2018. PMID: 29199120

6

Lessons learned about steered molecular dynamics simulations and free energy calculations.

Boubeta FM, Contestín García RM, Lorenzo EN, Boechi L, Estrin D, Sued M, Arrar M. Boubeta FM, et al. Among authors: arrar m. Chem Biol Drug Des. 2019 Jun;93(6):1129-1138. doi: 10.1111/cbdd.13485. Epub 2019 Feb 22. Chem Biol Drug Des. 2019. PMID: 30793836

7

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: arrar m. Proteins. 2010 Nov 1;78(14):2961-72. doi: 10.1002/prot.22819. Proteins. 2010. PMID: 20715188 Free PMC article.

8

Hydrophobic effect drives oxygen uptake in myoglobin via histidine E7.

Boechi L, Arrar M, Martí MA, Olson JS, Roitberg AE, Estrin DA. Boechi L, et al. Among authors: arrar m. J Biol Chem. 2013 Mar 1;288(9):6754-62. doi: 10.1074/jbc.M112.426056. Epub 2013 Jan 7. J Biol Chem. 2013. PMID: 23297402 Free PMC article.

9

Nucleotide-dependent dynamics of the Dengue NS3 helicase.

Sarto C, Kaufman SB, Estrin DA, Arrar M. Sarto C, et al. Among authors: arrar m. Biochim Biophys Acta Proteins Proteom. 2020 Aug;1868(8):140441. doi: 10.1016/j.bbapap.2020.140441. Epub 2020 May 1. Biochim Biophys Acta Proteins Proteom. 2020. PMID: 32371149

10

Structural Insights into the HWE Histidine Kinase Family: The Brucella Blue Light-Activated Histidine Kinase Domain.

Rinaldi J, Arrar M, Sycz G, Cerutti ML, Berguer PM, Paris G, Estrín DA, Martí MA, Klinke S, Goldbaum FA. Rinaldi J, et al. Among authors: arrar m. J Mol Biol. 2016 Mar 27;428(6):1165-1179. doi: 10.1016/j.jmb.2016.01.026. Epub 2016 Feb 2. J Mol Biol. 2016. PMID: 26851072

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