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
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
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
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
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
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
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
Assessment of mutations on RBD in the Spike protein of SARS-CoV-2 Alpha, Delta and Omicron variants
CHS da Costa, CAB de Freitas, CN Alves, J Lameira
Scientific Reports 12 (1), 8540, 2022
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
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), 10.1128/aac. 00866-17, 2017
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
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
Combined kinetic studies and computational analysis on kojic acid analogs as tyrosinase inhibitors
CR Lima, JRA Silva, É De Tássia Carvalho Cardoso, EO Silva, J Lameira, ...
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
Assessment of the PETase conformational changes induced by poly (ethylene terephthalate) binding
CHS da Costa, AM Dos Santos, CN Alves, S Martí, V Moliner, K Santana, ...
Proteins: Structure, Function, and Bioinformatics 89 (10), 1340-1352, 2021
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 Leitão, ...
Journal of chemical information and modeling 60 (3), 1666-1677, 2020
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
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
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