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Page 1
An artificial neural network model to predict structure-based protein-protein free energy of binding from Rosetta-calculated properties.
Phys Chem Chem Phys. 2023 Mar 8;25(10):7257-7267. doi: 10.1039/d2cp05644e.
Phys Chem Chem Phys. 2023.
PMID: 36810523
Electron nuclear dynamics with plane wave basis sets: complete theory and formalism.
Teixeira ES, Morales JA.
Teixeira ES, et al.
Theor Chem Acc. 2020 Apr;139(4):73. doi: 10.1007/s00214-020-2578-z. Epub 2020 Apr 2.
Theor Chem Acc. 2020.
PMID: 32913423
Free PMC article.
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Exploring water radiolysis in proton cancer therapy: Time-dependent, non-adiabatic simulations of H+ + (H2O)1-6.
Privett AJ, Teixeira ES, Stopera C, Morales JA.
Privett AJ, et al. Among authors: teixeira es.
PLoS One. 2017 Apr 4;12(4):e0174456. doi: 10.1371/journal.pone.0174456. eCollection 2017.
PLoS One. 2017.
PMID: 28376128
Free PMC article.
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Symmetry-breaking effects on time-dependent dynamics: correct differential cross sections and other properties in H+ + C2H4 at ELab = 30 eV.
McLaurin PM , Merritt R , Dominguez JC , Teixeira ES , Morales JA .
McLaurin PM , et al. Among authors: teixeira es.
Phys Chem Chem Phys. 2019 Feb 27;21(9):5006-5021. doi: 10.1039/c8cp07529h.
Phys Chem Chem Phys. 2019.
PMID: 30762051
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Electron Nuclear Dynamics Simulations of Proton Cancer Therapy Reactions: Water Radiolysis and Proton- and Electron-Induced DNA Damage in Computational Prototypes.
Teixeira ES, Uppulury K, Privett AJ, Stopera C, McLaurin PM, Morales JA.
Teixeira ES, et al.
Cancers (Basel). 2018 May 6;10(5):136. doi: 10.3390/cancers10050136.
Cancers (Basel). 2018.
PMID: 29734786
Free PMC article.
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Understanding the Reactivity and Regioselectivity of Methylation of Nitronates [R(1)R(2)CNO2](-) by CH3I in the Gas Phase.
Mahmood A, Teixeira ES, Longo RL.
Mahmood A, et al.
J Org Chem. 2015 Aug 21;80(16):8198-205. doi: 10.1021/acs.joc.5b01273. Epub 2015 Jul 28.
J Org Chem. 2015.
PMID: 26181145
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