User profiles for Ernesto Raul Caffarena
Ernesto CaffarenaFundação 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 …
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, …
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
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, …
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 …
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 …
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 …
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 …
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 …
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
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 …
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 …
that acts through P2 receptors. P2 receptors are divided into two subtypes: P2Y metabotropic …