21 results on '"Comar, Moacyr"'
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2. γ-Benzylidene digoxin derivatives synthesis and molecular modeling: Evaluation of anticancer and the Na,K-ATPase activity effect
3. A computational study of the interface interaction between SARS‐CoV‐2 RBD and ACE2 from human, cat, dog, and ferret
4. A computational study of the interface interaction between SARS‐CoV‐2 RBD and ACE2 from human, cat, dog, and ferret.
5. A computational study of the interface interaction between SARS-CoV-2 RBD and ACE2 from human, cat, dog and ferret.
6. The employment of relativistic adapted Gaussian basis sets in Douglas–Kroll–Hess scalar calculations with diatomic molecules
7. Accurate atomic electron affinities calculated by using anionic Gaussian basis sets
8. Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization
9. Primary Structure of a Trypsin Inhibitor (Copaifera langsdorffii Trypsin Inhibitor-1) Obtained from C. langsdorffii Seeds
10. 21-Benzylidene Digoxin: A Proapoptotic Cardenolide of Cancer Cells That Up-Regulates Na,K-ATPase and Epithelial Tight Junctions
11. Molecular dynamics simulation of dopamine and ascorbic acid amid tetrafluoroborate 1-butyl-3-methylimidazolium compared to conventional solvents
12. Identification of a vaccine against schistosomiasis using bioinformatics and molecular modeling tools
13. Produção de uma quimera protéica feita a partir de epítopos do Schistosoma mansoni para a síntese de uma vacina
14. Docking between natural peroxides and heme group by parametric method 6
15. Inverse virtual screening studies of selected natural compounds from cerrado
16. Metal binding selectivity of oxa-aza macrocyclic ligand: a DFT study of first- and second-row transition metal for four coordination systems
17. First- and second-row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation
18. TRIAGEM VIRTUAL INVERSA COMO FERRAMENTA PARA A QUÍMICA DE PRODUTOS NATURAIS
19. Adapted relativistic prolapse‐free Gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model
20. Is a non-synonymous SNP in the HvAACT1 coding region associated with acidic soil tolerance in barley?
21. Docking, QM/MM, and molecular dynamics simulations of the hexose transporter from Plasmodium falciparum (PfHT).
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