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Mehrnoosh Arrar, Ph.D. - Publications

Affiliations: 
2014 Chemistry University of California, San Diego, La Jolla, CA 
Area:
Biochemistry, Biomechanics Biophysics
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14 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Sarto C, Kaufman SB, Estrin DA, Arrar M. Nucleotide-dependent dynamics of the Dengue NS3 helicase. Biochimica Et Biophysica Acta. Proteins and Proteomics. 1868: 140441. PMID 32371149 DOI: 10.1016/J.Bbapap.2020.140441  0.359
2019 Boubeta FM, Contestín García RM, Lorenzo EN, Boechi L, Estrin D, Sued M, Arrar M. Lessons learned about steered molecular dynamics simulations and free energy calculations. Chemical Biology & Drug Design. PMID 30793836 DOI: 10.1111/Cbdd.13485  0.576
2019 Arrar M, Boubeta FM, Szretter ME, Sued M, Boechi L, Rodriguez D. On the accurate estimation of free energies using the jarzynski equality. Journal of Computational Chemistry. 40: 688-696. PMID 30565267 DOI: 10.1002/Jcc.25754  0.378
2018 Jorge SE, Bringas M, Petruk AA, Arrar M, Marti MA, Skaf MS, Costa FF, Capece L, Sonati MF, Estrin D. Understanding the molecular basis of the high oxygen affinity variant human hemoglobin Coimbra. Archives of Biochemistry and Biophysics. 637: 73-78. PMID 29199120 DOI: 10.1016/J.Abb.2017.11.010  0.341
2017 Marsico F, Burastero O, Defelipe LA, Lopez ED, Arrar M, Turjanski AG, Marti MA. Multiscale approach to the activation and phosphotransfer mechanism of CpxA histidine kinase reveals a tight coupling between conformational and chemical steps. Biochemical and Biophysical Research Communications. PMID 28911864 DOI: 10.1016/J.Bbrc.2017.09.039  0.343
2017 Sarto C, Kauffman S, Estrin D, Arrar M. Conformational dynamics of Dengue Helicase NS3 F1000research. 6. DOI: 10.7490/F1000Research.1113957.1  0.42
2014 Kaus JW, Arrar M, McCammon JA. Accelerated adaptive integration method. The Journal of Physical Chemistry. B. 118: 5109-18. PMID 24780083 DOI: 10.1021/Jp502358Y  0.614
2014 Arrar M, Pouya I, McCammon JA, Lindahl E. Molecular Insights into the Gating Mechanism of GLIC, a Prokaryotic Ligand-Gated Ion Channel Biophysical Journal. 106: 342a. DOI: 10.1016/J.Bpj.2013.11.1957  0.45
2013 Arrar M, de Oliveira CA, McCammon JA. Inactivating mutation in histone deacetylase 3 stabilizes its active conformation. Protein Science : a Publication of the Protein Society. 22: 1306-12. PMID 23904210 DOI: 10.1002/Pro.2317  0.423
2013 Arrar M, de Oliveira CA, Fajer M, Sinko W, McCammon JA. w-REXAMD: A Hamiltonian Replica Exchange Approach to Improve Free Energy Calculations for Systems with Kinetically Trapped Conformations. Journal of Chemical Theory and Computation. 9: 18-23. PMID 23316122 DOI: 10.1021/Ct300896H  0.575
2013 Boechi L, Arrar M, Martí MA, Olson JS, Roitberg AE, Estrin DA. Hydrophobic effect drives oxygen uptake in myoglobin via histidine E7. The Journal of Biological Chemistry. 288: 6754-62. PMID 23297402 DOI: 10.1074/Jbc.M112.426056  0.366
2013 Arrar M, Turnham R, Pierce L, de Oliveira CA, McCammon JA. Structural insight into the separate roles of inositol tetraphosphate and deacetylase-activating domain in activation of histone deacetylase 3. Protein Science : a Publication of the Protein Society. 22: 83-92. PMID 23139175 DOI: 10.1002/Pro.2190  0.448
2012 Arrar M, Sinko W, Fajer M, Agusto C, Oliveira Fd, McCammon JA. Fast and Accurate Calculation of Small Molecule Solvation Free Energies using Replica Exchange Accelerated Molecular Dynamics Biophysical Journal. 102: 447a. DOI: 10.1016/J.Bpj.2011.11.2450  0.58
2010 Capece L, Arrar M, Roitberg AE, Yeh SR, Marti MA, Estrin DA. Substrate stereo-specificity in tryptophan dioxygenase and indoleamine 2,3-dioxygenase. Proteins. 78: 2961-72. PMID 20715188 DOI: 10.1002/Prot.22819  0.334
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