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Physical Chemistry Chemical Physics : PCCP|August 23, 2019
Binding energies of the drugs capreomycin and streptomycin in complex with tuberculosis bacterial ribosome subunitsJessica F Vianna, Katyanna S Bezerra, Jonas I N Oliveira, et al.
Scientific Reports|February 1, 2018
Inhibition of the checkpoint protein PD-1 by the therapeutic antibody pembrolizumab outlined by quantum chemistryAna Beatriz M L A Tavares, José X Lima Neto, Umberto L Fulco, et al.
Physical Chemistry Chemical Physics : PCCP|July 4, 2020
Intermolecular interactions of cn-716 and acyl-KR-aldehyde dipeptide inhibitors against Zika virusDaniel M O Campos, Katyanna S Bezerra, Stephany C Esmaile, et al.
The Journal of Physical Chemistry. A|July 14, 2016
DFT Calculations with van der Waals Interactions of Hydrated Calcium Carbonate Crystals CaCO3·(H2O, 6H2O): Structural, Electronic, Optical, and Vibrational PropertiesStefane N Costa, Valder N Freire, Ewerton W S Caetano, et al.
Entropy (Basel, Switzerland)|September 23, 2022
A Bayesian Analysis of Plant DNA Length Distribution via <i>κ</i>-StatisticsMaxsuel M F de Lima, Dory H A L Anselmo, Raimundo Silva, et al.
The Journal of Physical Chemistry. B|July 9, 2019
Ribosomal RNA-Aminoglycoside Hygromycin B Interaction Energy Calculation within a Density Functional Theory FrameworkKatyanna S Bezerra, Umberto L Fulco, Stephany C Esmaile, et al.
Physical Chemistry Chemical Physics : PCCP|April 28, 2015
A quantum biochemistry investigation of willardiine partial agonism in AMPA receptorsJosé X Lima Neto, Umberto L Fulco, Eudenilson L Albuquerque, et al.
Journal of Chemical Information and Modeling|December 28, 2019
Exploring the Binding Mechanism of GABA<sub>B</sub> Receptor Agonists and Antagonists through in Silico SimulationsJosé X Lima Neto, Katyanna S Bezerra, Emmanuel D Barbosa, et al.
Biomolecules|July 27, 2024
In Silico Comparative Analysis of Ivermectin and Nirmatrelvir Inhibitors Interacting with the SARS-CoV-2 Main ProteaseYuri Alves de Oliveira Só, Katyanna Sales Bezerra, Ricardo Gargano, et al.
RSC Advances|November 2, 2022
Losartan as an ACE inhibitor: a description of the mechanism of action through quantum biochemistryEveline M Bezerra, Érika C de Alvarenga, Ricardo P Dos Santos, et al.
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