| Nature and strength of Lewis acid/base interaction in boron and nitrogen trihalides D Rodrigues Silva, L de Azevedo Santos, MP Freitas, CF Guerra, ... Chemistry–An Asian Journal 15 (23), 4043-4054, 2020 | 47 | 2020 |
| SN2 versus E2 Competition of F– and PH2– Revisited P Vermeeren, T Hansen, M Grasser, DR Silva, TA Hamlin, FM Bickelhaupt The Journal of organic chemistry 85 (21), 14087-14093, 2020 | 29 | 2020 |
| The Gauche Effect in XCH2CH2X Revisited D Rodrigues Silva, L de Azevedo Santos, TA Hamlin, C Fonseca Guerra, ... ChemPhysChem 22 (7), 641-648, 2021 | 24 | 2021 |
| QSAR models guided by molecular dynamics applied to human glucokinase activators TM de Assis, GC Gajo, LC de Assis, LS Garcia, DR Silva, TC Ramalho, ... Chemical Biology & Drug Design 87 (3), 455-466, 2016 | 19 | 2016 |
| Asymmetric biodegradation of the nerve agents Sarin and VX by human dUTPase: chemometrics, molecular docking and hybrid QM/MM calculations AA de Castro, FV Soares, AF Pereira, TC Silva, DR Silva, DT Mancini, ... Journal of Biomolecular Structure and Dynamics 37 (8), 2154-2164, 2019 | 18 | 2019 |
| QSAR analysis of nicotinamidic compounds and design of potential Bruton’s tyrosine kinase (Btk) inhibitors L Santos-Garcia, LC Assis, DR Silva, TC Ramalho, EFF da Cunha Journal of Biomolecular Structure and Dynamics 34 (7), 1421-1440, 2016 | 18 | 2016 |
| Conformational preferences of fluorine-containing agrochemicals and their implications for lipophilicity prediction DR Silva, JK Daré, MP Freitas Beilstein Journal of Organic Chemistry 16 (1), 2469-2476, 2020 | 16 | 2020 |
| Computational enzymology for degradation of chemical warfare agents: Promising technologies for remediation processes AA de Castro, LC Assis, DR Silva, S Corrêa, TM Assis, GC Gajo, ... AIMS microbiology 3 (1), 108, 2017 | 13 | 2017 |
| Multi‐objective Optimization of Benzamide Derivatives as Rho Kinase Inhibitors G Cardoso Gajo, D Rodrigues Silva, SJ Barigye, EFF da Cunha Molecular informatics 37 (3), 1700080, 2018 | 10 | 2018 |
| The Role of Intramolecular Interactions on the Bioactive Conformation of Epinephrine DR Silva, JM Silla, LA Santos, EFF da Cunha, MP Freitas Molecular Informatics 38 (6), 1800167, 2019 | 8 | 2019 |
| Insights into the pharmaceuticals and mechanisms of neurological orphan diseases: Current status and future expectations TC Ramalho, AA de Castro, TS Tavares, MC Silva, DR Silva, PH Cesar, ... Progress in Neurobiology 169, 135-157, 2018 | 7 | 2018 |
| 4D-QSAR model for compounds with binding affinity towards dopamine D2 receptors D Rodrigues Silva, T C. Ramalho, E FF da Cunha Letters in Drug Design & Discovery 11 (5), 649-664, 2014 | 7 | 2014 |
| Boron Tunneling in the “Weak” Bond‐Stretch Isomerization of N− B Lewis Adducts A Nandi, N Tarannam, D Rodrigues Silva, C Fonseca Guerra, TA Hamlin, ... ChemPhysChem 22 (18), 1857-1862, 2021 | 5 | 2021 |
| Dipolar repulsion in α-halocarbonyl compounds revisited DR Silva, L de Azevedo Santos, TA Hamlin, FM Bickelhaupt, MP Freitas, ... Physical Chemistry Chemical Physics 23 (37), 20883-20891, 2021 | 5 | 2021 |
| Conformational fingerprints in the modelling performance of MIA-QSAR: a case for SARS-CoV protease inhibitors JK Daré, DR Silva, TC Ramalho, MP Freitas Molecular Simulation 46 (14), 1055-1061, 2020 | 5 | 2020 |
| Theoretical study on the conformational bioeffect of the fluorination of acetylcholine JM Silla, DR Silva, MP Freitas Molecular Informatics 36 (12), 1700084, 2017 | 5 | 2017 |
| Nature and strength of group-14 A–A′ bonds DR Silva, E Blokker, JM van der Schuur, TA Hamlin, FM Bickelhaupt Chemical Science 15 (5), 1648-1656, 2024 | 3 | 2024 |
| Iodine Gauche Effect Induced by an Intramolecular Hydrogen Bond FA Martins, L de Azevedo Santos, D Rodrigues Silva, C Fonseca Guerra, ... The Journal of Organic Chemistry 87 (17), 11625-11633, 2022 | 3 | 2022 |
| Molecular modelling of potential candidates for the treatment of depression DR Silva, SJ Barigye, L Santos‐Garcia, E Fontes Ferreira da Cunha Molecular informatics 38 (7), 1900024, 2019 | 2 | 2019 |
| Design of Novel N-Myristoyltransferase Inhibitors of Leishmania donovani Using Four-Dimensional Quantitative Structure-Activity Relationship Analysis L Santos-Garcia, DR Silva, LC Assis, TM Assis, GC Gajo, ÍA Fernandes, ... Journal of the Brazilian Chemical Society 29 (7), 1440-1454, 2018 | 2 | 2018 |
Matheus FreitasFederal University of Lavras在 dqi.ufla.br 的电子邮件经过验证
