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Solvate Suite: A Command-Line Interface for Molecular Simulations and Multiscale Microsolvation Modeling.
J Chem Inf Model. 2024 May 13;64(9):3767-3778. doi: 10.1021/acs.jcim.3c01899. Epub 2024 Apr 15.
J Chem Inf Model. 2024.
PMID: 38621228
Diradicalar Character and Ring Stability of Mesoionic Heterocyclic Oxazoles and Thiazoles by Ab Initio Mono and Multi-Reference Methods.
da Silva Filho AJ, da Cruz Dantas L, de Santana OL.
da Silva Filho AJ, et al. Among authors: de santana ol.
Molecules. 2020 Oct 2;25(19):4524. doi: 10.3390/molecules25194524.
Molecules. 2020.
PMID: 33023193
Free PMC article.
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Challenges encountered during development of Mn porphyrin-based, potent redox-active drug and superoxide dismutase mimic, MnTnBuOE-2-PyP5+, and its alkoxyalkyl analogues.
Rajic Z, Tovmasyan A, de Santana OL, Peixoto IN, Spasojevic I, do Monte SA, Ventura E, Rebouças JS, Batinic-Haberle I.
Rajic Z, et al. Among authors: de santana ol.
J Inorg Biochem. 2017 Apr;169:50-60. doi: 10.1016/j.jinorgbio.2017.01.003. Epub 2017 Jan 5.
J Inorg Biochem. 2017.
PMID: 28131001
Free PMC article.
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