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List of works by Ernesto Raul Caffarena

Antitumor Effect Of Pomolic Acid In Acute Myeloid Leukemia Cells Involves Cell Death, Decreased Cell Growth And Topoisomerases Inhibition

scientific article published on 12 April 2018

Benzimidazole inhibitors of the major cysteine protease of Trypanosoma brucei

scientific article published on 01 July 2019

Combining network-based and matrix factorization to predict novel drug-target interactions: A case study using the Brazilian natural chemical database

scientific article published in 2022

Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors

scientific article

Computational modeling of the bHLH domain of the transcription factor TWIST1 and R118C, S144R and K145E mutants

scientific article

Dynamic identification of H2 epitopes from Leishmania (Leishmania) amazonensis cysteine proteinase B with potential immune activity during murine infection.

scientific article published in February 2014

Effects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease

scientific article published on 30 July 2019

Epoxy-α-lapachone has in vitro and in vivo anti-leishmania (Leishmania) amazonensis effects and inhibits serine proteinase activity in this parasite

scientific article

Essential dynamics of the cold denaturation: pressure and temperature effects in yeast frataxin

scientific article published on November 2016

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

scientific article published on 30 September 2016

Exploring the unbinding of Leishmania (L.) amazonensis CPB derived-epitopes from H2 MHC class I proteins

scientific article published on 21 January 2016

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

scientific article published on 22 February 2018

Guidelines To Predict Binding Poses of Antibody-Integrin Complexes

scientific article published on 26 June 2020

Identification of Novel and Recurrent RMRP Variants in a Series of Brazilian Patients with Cartilage-Hair Hypoplasia: McKusick Syndrome

scientific article published on 15 August 2019

In Silico Identification of Novel APRIL Peptide Antagonists and Binding Insights by Molecular Modeling and Immunosorbent Assays

scientific article published on January 2015

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

scientific article published on 18 April 2019

In silico predicted epitopes from the COOH-terminal extension of cysteine proteinase B inducing distinct immune responses during Leishmania (Leishmania) amazonensis experimental murine infection.

scientific article

Integrating Molecular Docking and Molecular Dynamics Simulations

scientific article published on 01 January 2019

Molecular docking study and development of an empirical binding free energy model for phosphodiesterase 4 inhibitors

scientific article published on 14 July 2006

Naturally occurring genetic variants of human caspase-1 differ considerably in structure and the ability to activate interleukin-1β.

scientific article

New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes

scientific article published on November 2010

Predictions suggesting a participation of beta-sheet configuration in the M2 domain of the P2X(7) receptor: a novel conformation?

scientific article published on February 2009

Pressure effect on micellization of non-ionic surfactant Triton X-100.

scientific article published in February 2018

Shared Binding Mode of Perrottetinene and Tetrahydrocannabinol Diastereomers inside the CB1 Receptor May Incentivize Novel Medicinal Drug Design: Findings from an in Silico Assay

scientific article published on 17 November 2020

Stochastic molecular dynamics of peanut lectin PNA complex with T-antigen disaccharide

scientific article

Structural and dynamic insights into the C-terminal extension of cysteine proteinase B from Leishmania amazonensis

scientific article

Structural insights into NS5B protein of novel equine hepaciviruses and pegiviruses complexed with polymerase inhibitors

scientific article published on 20 January 2020

Structural insights into leishmanolysins encoded on chromosome 10 of Leishmania (Viannia) braziliensis

scientific article published on September 2017

Structure-based functional inference of hypothetical proteins from Mycoplasma hyopneumoniae

scientific article published on 26 August 2011

Studying effects of different protonation states of His11 and His102 in ribose-5-phosphate isomerase of Trypanosoma cruzi: an example of cooperative behavior

scientific article published on 11 June 2019

Synthesis, antimalarial evaluation and molecular modeling studies of hydroxyethylpiperazines, potential aspartyl protease inhibitors, part 2.

scientific article published on 8 April 2009

The rare lncRNA GOLLD is widespread and structurally conserved among Mycobacterium tRNA arrays

scientific article published on 10 April 2020

The role of hydrophobicity in the cold denaturation of proteins under high pressure: A study on apomyoglobin

scientific article published on 01 February 2019

Thiophenacetamide as a potential modulator to NF-κB: structure and dynamics study using in silico and molecular biology assays

scientific article published on 11 January 2019

Understanding Structure-Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations

scientific article published on 21 December 2018

Unraveling RNA dynamical behavior of TPP riboswitches: a comparison between Escherichia coli and Arabidopsis thaliana

scientific article published on 12 March 2019

Using RNA Sequence and Structure for the Prediction of Riboswitch Aptamer: A Comprehensive Review of Available Software and Tools.

scientific article published in January 2017

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