User profiles for Ernesto Raul Caffarena

Ernesto Caffarena

Fundação Oswaldo Cruz
Verified email at fiocruz.br
Cited by 1911

Boosting docking-based virtual screening with deep learning

JC Pereira, ER Caffarena… - Journal of chemical …, 2016 - ACS Publications
In this work, we propose a deep learning approach to improve docking-based virtual
screening. The deep neural network that is introduced, DeepVS, uses the output of a docking …

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, 2005 - Elsevier
The aim of this report is to investigate at microscopic level the elastic properties of a
tropocollagen-like molecule submitted to linear traction along its longitudinal axis. For this purpose, …

Toll-like receptor 1 N248S single-nucleotide polymorphism is associated with leprosy risk and regulates immune activation during mycobacterial infection

…, MT Mira, FCF Lana, ER Caffarena… - The Journal of …, 2013 - academic.oup.com
Conflicting findings about the association between leprosy and TLR1 variants N248S and
I602S have been reported. Here, we performed case-control and family based studies, …

Evaluation of 7-arylaminopyrazolo [1, 5-a] pyrimidines as anti-Plasmodium falciparum, antimalarial, and Pf-dihydroorotate dehydrogenase inhibitors

…, CMS Menezes, ASO Hammes, ER Caffarena… - European Journal of …, 2017 - Elsevier
Malaria remains one of the most serious global infectious diseases. An important target for
antimalarial chemotherapy is the enzyme dihydroorotate dehydrogenase from Plasmodium …

Genomic and structural features of the yellow fever virus from the 2016–2017 Brazilian outbreak

…, ACR Guimarães, ER Caffarena… - Journal of General …, 2018 - microbiologyresearch.org
Southeastern Brazil has been suffering a rapid expansion of a severe sylvatic yellow fever
virus (YFV) outbreak since late 2016, which has reached one of the most populated zones in …

[HTML][HTML] Caracterização do envelhecimento populacional no município do Rio de Janeiro: contribuições para políticas públicas sustentáveis

DSB Alves, MTS Barbosa, ER Caffarena… - Cadernos Saúde …, 2016 - SciELO Brasil
Objetivo Descrever o estágio do envelhecimento populacional no município do Rio de
Janeiro. Métodos Estudo ecológico tendo como unidades de observação os 160 bairros que …

[HTML][HTML] In silico analysis of the V66M variant of human BDNF in psychiatric disorders: An approach to precision medicine

…, JYS De Alcantara, D Antunes, ER Caffarena… - Plos one, 2019 - journals.plos.org
Brain-derived neurotrophic factor (BDNF) plays an important role in neurogenesis and
synapse formation. The V66M is the most prevalent BDNF mutation in humans and impairs the …

Epoxy-α-Lapachone Has In Vitro and In Vivo Anti-Leishmania (Leishmania) amazonensis Effects and Inhibits Serine Proteinase Activity in This Parasite

…, PF Carneiro, RT de Pinho, ER Caffarena… - Antimicrobial agents …, 2015 - Am Soc Microbiol
Leishmania ( Leishmania ) amazonensis is a protozoan that causes infections with a broad
spectrum of clinical manifestations. The currently available chemotherapeutic treatments …

[HTML][HTML] 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 …, 2015 - SciELO Brasil
Reverse transcriptase (RT) is a multifunctional enzyme in the human immunodeficiency
virus (HIV)-1 life cycle and represents a primary target for drug discovery efforts against HIV-1 …

[HTML][HTML] Structural and molecular modeling features of P2X receptors

…, PCN Teixeira, CAM De Souza, ER Caffarena… - International journal of …, 2014 - mdpi.com
Currently, adenosine 5′-triphosphate (ATP) is recognized as the extracellular messenger
that acts through P2 receptors. P2 receptors are divided into two subtypes: P2Y metabotropic …