| Boosting docking-based virtual screening with deep learning JC Pereira, ER Caffarena, CN Dos Santos Journal of chemical information and modeling 56 (12), 2495-2506, 2016 | 364 | 2016 |
| Elastic properties, Young's modulus determination and structural stability of the tropocollagen molecule: a computational study by steered molecular dynamics AC Lorenzo, ER Caffarena Journal of biomechanics 38 (7), 1527-1533, 2005 | 193 | 2005 |
| Integrating molecular docking and molecular dynamics simulations LHS Santos, RS Ferreira, ER Caffarena Docking screens for drug discovery, 13-34, 2019 | 151 | 2019 |
| Toll-like receptor 1 N248S single-nucleotide polymorphism is associated with leprosy risk and regulates immune activation during mycobacterial infection C de Sales Marques, VN Brito-de-Souza, LTA Guerreiro, JH Martins, ... The Journal of infectious diseases 208 (1), 120-129, 2013 | 76 | 2013 |
| Evaluation of 7-arylaminopyrazolo [1, 5-a] pyrimidines as anti-Plasmodium falciparum, antimalarial, and Pf-dihydroorotate dehydrogenase inhibitors LFSP Azeredo, JP Coutinho, VAP Jabor, PR Feliciano, MC Nonato, ... European Journal of Medicinal Chemistry 126, 72-83, 2017 | 70 | 2017 |
| Genomic and structural features of the yellow fever virus from the 2016–2017 Brazilian outbreak MM Gómez, FVS Abreu, AAC Santos, IS Mello, MP Santos, IP Ribeiro, ... Journal of General Virology 99 (4), 536-548, 2018 | 58 | 2018 |
| Caracterização do envelhecimento populacional no município do Rio de Janeiro: contribuições para políticas públicas sustentáveis DSB Alves, MTS Barbosa, ER Caffarena, AS Silva Cadernos Saúde Coletiva 24, 63-69, 2016 | 55 | 2016 |
| Hydrogen Bonding of carboxylic acids in aqueous solutions—UV spectroscopy, viscosity, and molecular simulation of acetic acid G Ruderman, ER Caffarena, IG Mogilner, EJ Tolosa Journal of solution chemistry 27, 935-948, 1998 | 49 | 1998 |
| Glass transition in aqueous solutions of glucose. Molecular dynamics simulation ER Caffarena, JR Grigera Carbohydrate research 300 (1), 51-57, 1997 | 47 | 1997 |
| Hydration of glucose in the rubbery and glassy states studied by molecular dynamics simulation ER Caffarena, JR Grigera Carbohydrate research 315 (1-2), 63-69, 1999 | 43 | 1999 |
| Epoxy-α-Lapachone Has In Vitro and In Vivo Anti-Leishmania (Leishmania) amazonensis Effects and Inhibits Serine Proteinase Activity in This Parasite F Souza-Silva, SC Bourguignon, BAS Pereira, LMC Côrtes, ... Antimicrobial agents and chemotherapy 59 (4), 1910-1918, 2015 | 39 | 2015 |
| Naturally Occurring Genetic Variants of Human Caspase‐1 Differ Considerably in Structure and the Ability to Activate Interleukin‐1β H Luksch, MJ Romanowski, O Chara, V Tüngler, ER Caffarena, ... Human mutation 34 (1), 122-131, 2013 | 39 | 2013 |
| Using RNA sequence and structure for the prediction of riboswitch aptamer: a comprehensive review of available software and tools D Antunes, NAN Jorge, ER Caffarena, F Passetti Frontiers in genetics 8, 231, 2018 | 38 | 2018 |
| On the hydrogen bond structure of water at different densities ER Caffarena, JR Grigera Physica A: Statistical Mechanics and its Applications 342 (1-2), 34-39, 2004 | 38 | 2004 |
| Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors LH Santos, RS Ferreira, ER Caffarena Memórias do Instituto Oswaldo Cruz 110 (7), 847-864, 2015 | 35 | 2015 |
| In silico analysis of the V66M variant of human BDNF in psychiatric disorders: An approach to precision medicine CCS De Oliveira, GRC Pereira, JYS De Alcantara, D Antunes, ... Plos one 14 (4), e0215508, 2019 | 34 | 2019 |
| Structural and molecular modeling features of P2X receptors LA Alves, JHM Da Silva, DNM Ferreira, AA Fidalgo-Neto, PCN Teixeira, ... International journal of molecular sciences 15 (3), 4531-4549, 2014 | 34 | 2014 |
| Synthesis, antimalarial evaluation and molecular modeling studies of hydroxyethylpiperazines, potential aspartyl protease inhibitors, part 2 W Cunico, CRB Gomes, V Facchinetti, M Moreth, C Penido, ... European journal of medicinal chemistry 44 (9), 3816-3820, 2009 | 34 | 2009 |
| In silico predicted epitopes from the COOH-terminal extension of cysteine proteinase B inducing distinct immune responses during Leishmania (Leishmania) amazonensis … BAS Pereira, FS Silva, KM Rebello, M Marín-Villa, YM Traub-Cseko, ... BMC immunology 12, 1-12, 2011 | 32 | 2011 |
| Understanding structure–activity relationships for trypanosomal cysteine protease inhibitors by simulations and free energy calculations LH Santos, BJ Waldner, JE Fuchs, GAN Pereira, KR Liedl, ER Caffarena, ... Journal of Chemical Information and Modeling 59 (1), 137-148, 2018 | 28 | 2018 |
Deborah AntunesFundação Oswaldo Cruz在 fiocruz.br 的电子邮件经过验证
