Uriel N. Morzan - Publications

2017- Chemistry Yale University, New Haven, CT 

12 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 Morzan UN, Videla PE, Soley MB, Nibbering ETJ, Batista VS. Vibronic Dynamics of Photodissociating ICN from Simulations of Ultrafast X-Ray Absorption Spectroscopy. Angewandte Chemie (International Ed. in English). PMID 32691867 DOI: 10.1002/anie.202007192  0.64
2019 East KW, Newton JC, Morzan UN, Narkhede Y, Acharya A, Skeens E, Jogl G, Batista VS, Palermo G, Lisi GP. Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics. Journal of the American Chemical Society. PMID 31885264 DOI: 10.1021/jacs.9b10521  0.64
2018 Negre CFA, Morzan UN, Hendrickson HP, Pal R, Lisi GP, Loria JP, Rivalta I, Ho J, Batista VS. Eigenvector centrality for characterization of protein allosteric pathways. Proceedings of the National Academy of Sciences of the United States of America. PMID 30530700 DOI: 10.1073/pnas.1810452115  0.64
2018 Marcolongo JP, Zeida A, Semelak JA, Foglia NO, Morzan UN, Estrin DA, González Lebrero MC, Scherlis DA. Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the Code. Frontiers in Chemistry. 6: 70. PMID 29619365 DOI: 10.3389/fchem.2018.00070  0.72
2018 Liu MT, Ho J, Liu JK, Purakait R, Morzan UN, Ahmed L, Batista VS, Matsunami H, Ryan K. Carbon chain shape selectivity by the mouse olfactory receptor OR-I7. Organic & Biomolecular Chemistry. PMID 29569669 DOI: 10.1039/C8OB00205C  0.64
2018 Morzan UN, Alonso de Armiño DJ, Foglia NO, Ramírez F, González Lebrero MC, Scherlis DA, Estrin DA. Spectroscopy in Complex Environments from QM-MM Simulations. Chemical Reviews. 118: 4071-4113. PMID 29561145 DOI: 10.1021/acs.chemrev.8b00026  0.72
2017 Morzan UN, Ramírez FF, González Lebrero MC, Scherlis DA. Electron transport in real time from first-principles. The Journal of Chemical Physics. 146: 044110. PMID 28147541 DOI: 10.1063/1.4974095  0.72
2017 Foglia NO, Morzan UN, Estrin DA, Scherlis DA, Gonzalez Lebrero MC. Role of Core Electrons in Quantum Dynamics Using TDDFT. Journal of Chemical Theory and Computation. 13: 77-85. PMID 27957843 DOI: 10.1021/acs.jctc.6b00771  0.72
2016 Marcolongo JP, Morzan UN, Zeida A, Scherlis DA, Olabe JA. Nitrosodisulfide [SNO] (perthionitrite) is a true intermediate during the "cross-talk" of nitrosyl and sulfide. Physical Chemistry Chemical Physics : Pccp. 18: 30047-30052. PMID 27774554 DOI: 10.1039/c6cp06314d  0.72
2015 Cuevasanta E, Zeida A, Carballal S, Wedmann R, Morzan UN, Trujillo M, Radi R, Estrin DA, Filipovic MR, Alvarez B. Insights into the mechanism of the reaction between hydrogen sulfide and peroxynitrite. Free Radical Biology & Medicine. 80: 93-100. PMID 25555671 DOI: 10.1016/j.freeradbiomed.2014.12.017  0.6
2014 Morzan UN, Ramírez FF, Oviedo MB, Sánchez CG, Scherlis DA, Lebrero MC. Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework. The Journal of Chemical Physics. 140: 164105. PMID 24784251 DOI: 10.1063/1.4871688  0.72
2013 Morzan UN, Capece L, Marti MA, Estrin DA. Quaternary structure effects on the hexacoordination equilibrium in rice hemoglobin rHb1: insights from molecular dynamics simulations. Proteins. 81: 863-73. PMID 23280541 DOI: 10.1002/prot.24245  0.6
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