| Antifungal Activity and Computational Study of Constituents from Piper divaricatum Essential Oil against Fusarium Infection in Black Pepper JKR da Silva, JRA Silva, SB Nascimento, SFM da Luz, EN Meireles, ... Molecules 19 (11), 17926-17942, 2014 | 64 | 2014 |
| 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 | 63 | 2017 |
| 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 | 49 | 2014 |
| Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism JRA Silva, L Cianni, D Araújo, PHJ Batista, D De Vita, F Rosini, A Leitao, ... Journal of Chemical Information and Modeling 60 (3), 1666-1677, 2020 | 35 | 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 | 31 | 2016 |
| Catalytic mechanism of L, D-Transpeptidase 2 from Mycobacterium tuberculosis described by a computational approach: Insights for the design of new antibiotics drugs JRA Silva, AE Roitberg, CN Alves Journal of chemical information and modeling 54 (9), 2402-2410, 2014 | 28 | 2014 |
| Simulating the inhibition reaction of Mycobacterium tuberculosis l, d-transpeptidase 2 by carbapenems JRA Silva, T Govender, GEM Maguire, HG Kruger, J Lameira, AE Roitberg, ... Chemical Communications 51 (63), 12560-12562, 2015 | 25 | 2015 |
| Insights for design of Trypanosoma cruzi GAPDH inhibitors: A QM/MM MD study of 1,3‐bisphospo‐D‐glyceric acid analogs JR Araujo Silva, J Lameira, CN Alves International Journal of Quantum Chemistry 112 (20), 3398-3402, 2012 | 24 | 2012 |
| Acetylcholinesterase Inhibitory Activity and Molecular Docking Study of 1‐Nitro‐2‐Phenylethane, the Main Constituent of Aniba canelilla Essential Oil NNS Silva, JRA Silva, CN Alves, EHA Andrade, JKR da Silva, JGS Maia Chemical biology & drug design 84 (2), 192-198, 2014 | 22 | 2014 |
| Computational Analysis of Human OGA Structure in Complex with PUGNAc and NAG-Thiazoline Derivatives NAN Alencar, PRM Sousa, JRA Silva, J Lameira, CN Alves, S Martí, ... | 19 | 2012 |
| Targeting the cell wall of Mycobacterium tuberculosis: a molecular modeling investigation of the interaction of imipenem and meropenem with L, D-transpeptidase 2 JRA Silva, WR Bishai, T Govender, G Lamichhane, GEM Maguire, ... Journal of Biomolecular Structure and Dynamics 34 (2), 304-317, 2016 | 18 | 2016 |
| Drug repurposing and computational modeling for discovery of inhibitors of the main protease (M pro) of SARS-CoV-2 JRA Silva, HG Kruger, FA Molfetta RSC Advances 11 (38), 23450-23458, 2021 | 17 | 2021 |
| Facile Synthesis and Metabolic Incorporation of m-DAP Bioisosteres Into Cell Walls of Live Bacteria AJ Apostolos, JM Nelson, JRA Silva, J Lameira, AM Achimovich, ... ACS chemical biology 15 (11), 2966-2975, 2020 | 17 | 2020 |
| Evaluating the Performance of a Non-Bonded Cu2+ Model Including Jahn− Teller Effect into the Binding of Tyrosinase Inhibitors LS Martins, J Lameira, HG Kruger, CN Alves, JRA Silva International Journal of Molecular Sciences 21 (13), 4783, 2020 | 16 | 2020 |
| Inhibition of tyrosinase by 4H‐chromene analogs: Synthesis, kinetic studies, and computational analysis EM Brasil, LM Canavieira, ÉTC Cardoso, EO Silva, J Lameira, ... Chemical biology & drug design 90 (5), 804-810, 2017 | 16 | 2017 |
| Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: binding energy calculations and DFT study B Honarparvar, SA Pawar, CN Alves, J Lameira, GEM Maguire, JRA Silva, ... Journal of Biomedical Science 22, 1-15, 2015 | 16 | 2015 |
| Exploring chloride selectivity and halogenase regioselectivity of the sall enzyme through quantum mechanical/molecular mechanical modeling PRM Pereira, JO Araújo, JRA Silva, CN Alves, J Lameira, AH Lima Journal of Chemical Information and Modeling 60 (2), 738-746, 2020 | 15 | 2020 |
| In Silico Study towards Repositioning of FDA-Approved Drug Candidates for Anticoronaviral Therapy: Molecular Docking, Molecular Dynamics and Binding Free Energy Calculations WS Qayed, RS Ferreira, JRA Silva Molecules 27 (18), 5988, 2022 | 12 | 2022 |
| A QM/MM Free Energy Study of the Oxidation Mechanism of Dihydroorotate Dehydrogenase (Class 1A) from Lactococcus lactis JRA Silva, AE Roitberg, CN Alves The Journal of Physical Chemistry B 119 (4), 1468-1473, 2015 | 12 | 2015 |
| Insights into the mechanism of oxidation of dihydroorotate to orotate catalysed by human class 2 dihydroorotate dehydrogenase: a QM/MM free energy study CN Alves, JRA Silva, AE Roitberg Physical Chemistry Chemical Physics 17 (27), 17790-17796, 2015 | 12 | 2015 |
Jeronimo LameiraUniversidade Federal do ParáVerified email at ufpa.br
