Ernesto Caffarena
Ernesto Caffarena
Adresse e-mail validée de fiocruz.br
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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
1582005
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
1332016
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
602013
Glass transition in aqueous solutions of glucose. Molecular dynamics simulation
ER Caffarena, JR Grigera
Carbohydrate research 300 (1), 51-57, 1997
431997
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 (1), 63-69, 2016
402016
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
401999
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
342009
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
332013
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
312017
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 (10), 935-948, 1998
281998
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
272004
Genomic and structural features of the yellow fever virus from the 2016-2017 Brazilian outbreak
MM Gómez, FVS de Abreu, AAC dos Santos, IS de Mello, MP Santos, ...
bioRxiv, 179481, 2017
252017
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), 44, 2011
252011
Computational modeling of the bHLH domain of the transcription factor TWIST1 and R118C, S144R and K145E mutants
AM Maia, JHM da Silva, AL Mencalha, ER Caffarena, E Abdelhay
BMC bioinformatics 13 (1), 184, 2012
232012
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
222014
Crystal, melted and glassy states of glucose. A molecular dynamics simulation
J RauláGrigera
Journal of the Chemical Society, Faraday Transactions 92 (12), 2285-2289, 1996
221996
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
212018
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
212015
Molecular docking study and development of an empirical binding free energy model for phosphodiesterase 4 inhibitors
FG Oliveira, CMR Sant’Anna, ER Caffarena, LE Dardenne, EJ Barreiro
Bioorganic & medicinal chemistry 14 (17), 6001-6011, 2006
202006
Computer simulation of the cyclodextrin–phenylalanine complex
JR Grigera, ER Caffarena, S de Rosa
Carbohydrate research 310 (4), 253-259, 1998
201998
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