Publications by authors named "Moacyr Comar"

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A computational study of the interface interaction between SARS-CoV-2 RBD and ACE2 from human, cat, dog, and ferret.
William O Soté, Eduardo F Franca, Aline S Hora, Moacyr Comar

Transbound Emerg Dis· July 2022

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Is a non-synonymous SNP in the HvAACT1 coding region associated with acidic soil tolerance in barley?
Jéssica Rosset Ferreira, Bruna Franciele Faria, Moacyr Comar, Carla Andréa Delatorre, Euclydes Minella

Genet Mol Biol· May 2017

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Docking, QM/MM, and molecular dynamics simulations of the hexose transporter from Plasmodium falciparum (PfHT).
Amanda Luisa da Fonseca, Renata Rachide Nunes, Vanildo Martins Lima Braga, Moacyr Comar, Ricardo José Alves

J Mol Graph Model· May 2016

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Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization.
Ricardo Celeste, Milena P Maringolo, Moacyr Comar, Rommel B Viana, Amanda R Guimarães

J Mol Model· October 2015

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Primary Structure of a Trypsin Inhibitor (Copaifera langsdorffii Trypsin Inhibitor-1) Obtained from C. langsdorffii Seeds.
José A Silva, Dávia G Pompeu, Marcus B Smolka, Fabio C Gozzo, Moacyr Comar

J Biomol Tech· September 2015

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γ-Benzylidene digoxin derivatives synthesis and molecular modeling: Evaluation of anticancer and the Na,K-ATPase activity effect.
Silmara L G Alves, Natasha Paixão, Letícia G R Ferreira, Felipe R S Santos, Luiza D R Neves, Moacyr Comar

Bioorg Med Chem· August 2015

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21-Benzylidene digoxin: a proapoptotic cardenolide of cancer cells that up-regulates Na,K-ATPase and epithelial tight junctions.
Sayonarah C Rocha, Marco T C Pessoa, Luiza D R Neves, Silmara L G Alves, Luciana M Silva, Moacyr Comar

PLoS One· June 2015

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Identification of a vaccine against schistosomiasis using bioinformatics and molecular modeling tools.
Débora de Oliveira Lopes, Flávio Martins de Oliveira, Ivan Evangelista do Vale Coelho, Karina Talita de Oliveira Santana, Flávia Costa Mendonça, Moacyr Comar

Infect Genet Evol· December 2013

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First- and second-row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation.
Francisco C A Lima, Rommel B Viana, Thais T da Silva, Solange M S V Wardell, Armando P Nascimento do Filho, Moacyr Comar

J Mol Model· July 2012

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