Jeronimo Lameira
Jeronimo Lameira
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Application of Mangifera indica (mango) seeds as a biosorbent for removal of Victazol Orange 3R dye from aqueous solution and study of the biosorption mechanism
WS Alencar, E Acayanka, EC Lima, B Royer, FE de Souza, J Lameira, ...
Chemical Engineering Journal 209, 577-588, 2012
A theoretical study of phenolic compounds with antioxidant properties
M Reis, B Lobato, J Lameira, AS Santos, CN Alves
European journal of medicinal chemistry 42 (4), 440-446, 2007
Quantitative exploration of the molecular origin of the activation of GTPase
NV Plotnikov, J Lameira, A Warshel
Proceedings of the National Academy of Sciences of the United States of …, 2013
Structural and functional features of enzymes of Mycobacterium tuberculosis peptidoglycan biosynthesis as targets for drug development
GL Moraes, GC Gomes, PRM De Sousa, CN Alves, T Govender, ...
Tuberculosis 95 (2), 95-111, 2015
Structure–activity relationship study of flavone compounds with anti-HIV-1 integrase activity: A density functional theory study
J Lameira, IG Medeiros, M Reis, AS Santos, CN Alves
Bioorganic & medicinal chemistry 14 (21), 7105-7112, 2006
Methyltransferases do not work by compression, cratic, or desolvation effects, but by electrostatic preorganization
J Lameira, RP Bora, ZT Chu, A Warshel
Proteins: Structure, Function, and Bioinformatics 83 (2), 318-330, 2015
A density functional study of flavonoid compounds with anti-HIV activity
J Lameira, CN Alves, V Moliner, E Silla
European journal of medicinal chemistry 41 (5), 616-623, 2006
A multivariate study on flavonoid compounds scavenging the peroxynitrite free radical
AK Calgarotto, S Miotto, KM Honório, ABF Da Silva, S Marangoni, JL Silva, ...
Journal of Molecular Structure: THEOCHEM 808 (1-3), 25-33, 2007
Exploring the potentiality of natural products from essential oils as inhibitors of odorant-binding proteins: a structure-and ligand-based virtual screening approach to find …
KS da Costa, JM Galúcio, CHS da Costa, AR Santana, ...
ACS omega 4 (27), 22475-22486, 2019
Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins
P Kumar, V Chauhan, JRA Silva, J Lameira, FB d'Andrea, SG Li, SL Ginell, ...
Antimicrobial agents and chemotherapy 61 (10), e00866-17, 2017
Combined kinetic studies and computational analysis on kojic acid analogs as tyrosinase inhibitors
CR Lima, JRA Silva, ÉTC Cardoso, EO Silva, J Lameira, JLM Nascimento, ...
Molecules 19 (7), 9591-9605, 2014
Experimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitriles
AM Dos Santos, L Cianni, D De Vita, F Rosini, A Leitão, CA Laughton, ...
Physical Chemistry Chemical Physics 20 (37), 24317-24328, 2018
The catalytic mechanism of glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma cruzi elucidated via the QM/MM approach
M Reis, CN Alves, J Lameira, I Tuñón, S Marti, V Moliner
Physical Chemistry Chemical Physics 15 (11), 3772-3785, 2013
A Quantum Mechanics/Molecular Mechanics Study of the Protein−Ligand Interaction of Two Potent Inhibitors of Human O-GlcNAcase: PUGNAc and NAG-Thiazoline
J Lameira, CN Alves, V Moliner, S Martí, N Kanaan, I Tuñón
The journal of physical chemistry B 112 (45), 14260-14266, 2008
Enzyme Molecular Mechanism as a Starting Point to Design New Inhibitors: A Theoretical Study of O-GlcNAcase
J Lameira, CN Alves, I Tunon, S Marti, V Moliner
The Journal of Physical Chemistry B 115 (20), 6764-6775, 2011
Applications of virtual screening in bioprospecting: facts, shifts, and perspectives to explore the chemo-structural diversity of natural products
K Santana, LD Do Nascimento, A Lima e Lima, V Damasceno, C Nahum, ...
Frontiers in Chemistry 9, 662688, 2021
Enhancing paradynamics for QM/MM sampling of enzymatic reactions
J Lameira, I Kupchencko, A Warshel
The Journal of Physical Chemistry B 120 (9), 2155-2164, 2016
Binding free energy calculations of nine FDA‐approved protease inhibitors against HIV‐1 subtype C I36T↑ T containing 100 amino acids per monomer
HA Lockhat, JRA Silva, CN Alves, T Govender, J Lameira, GEM Maguire, ...
Chemical biology & drug design 87 (4), 487-498, 2016
Assessment of the cruzain cysteine protease reversible and irreversible covalent inhibition mechanism
JRA Silva, L Cianni, D Araujo, PHJ Batista, D de Vita, F Rosini, A Leitao, ...
Journal of chemical information and modeling 60 (3), 1666-1677, 2020
A comparative modeling and molecular docking study on Mycobacterium tuberculosis targets involved in peptidoglycan biosynthesis
Z Fakhar, S Naiker, CN Alves, T Govender, GEM Maguire, J Lameira, ...
Journal of Biomolecular Structure and Dynamics 34 (11), 2399-2417, 2016
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