Zobrazeno 1 - 10
of 40
pro vyhledávání: '"Rafael Andrade Caceres"'
Autor:
Ivo Henrique Provensi Vieira, Eduardo Buganemi Botelho, Thales Junior de Souza Gomes, Roger Kist, Rafael Andrade Caceres, Fernando Berton Zanchi
Publikováno v:
BMC Bioinformatics, Vol 24, Iss 1, Pp 1-8 (2023)
Abstract Background The molecular dynamics is an approach to obtain kinetic and thermodynamic characteristics of biomolecular structures. The molecular dynamics simulation softwares are very useful, however, most of them are used in command line form
Externí odkaz:
https://doaj.org/article/1b417199c11741ca9eaf3e0e8274238d
Autor:
Luis Fernando Saraiva Macedo Timmers, Julia Vasconcellos Peixoto, Rodrigo Gay Ducati, José Fernando Ruggiero Bachega, Leandro de Mattos Pereira, Rafael Andrade Caceres, Fernanda Majolo, Guilherme Liberato da Silva, Débora Bublitz Anton, Odir Antônio Dellagostin, João Antônio Pegas Henriques, Léder Leal Xavier, Márcia Inês Goettert, Stefan Laufer
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-14 (2021)
Abstract Due to the high rate of transmissibility, Brazil became the new COVID-19 outbreak epicenter and, since then, is being monitored to understand how SARS-CoV-2 mutates and spreads. We combined genomic and structural analysis to evaluate genomes
Externí odkaz:
https://doaj.org/article/a38334c048754c499bd25a4e0e1ff844
Tuberculosis is a matter of global concern due to its prevalence in developing countries and the ability of mycobacterium to present resistance to existing therapeutic regimens. In this context, the present project proposes the QSAR (Quantitative Str
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::651f1505f15f63723f0aa75def785b35
https://doi.org/10.1101/2023.03.13.532463
https://doi.org/10.1101/2023.03.13.532463
Autor:
Rodrigo G. Ducati, Débora Bublitz Anton, Julia Vasconcellos Peixoto, Luis Fernando Saraiva Macedo Timmers, Rafael Andrade Caceres, João Antonio Pêgas Henriques, Fernanda Majolo, Leandro de Mattos Pereira, Márcia Inês Goettert, Odir Antônio Dellagostin, Stefan Laufer, Guilherme Liberato da Silva, José Fernando Ruggiero Bachega, Léder Leal Xavier
Due to the high rate of transmissibility, Brazil became the new COVID-19 outbreak epicenter, being a reference region to monitor how SARS-CoV-2 is mutating and spreading. Here, we combined genomic and structural biology analysis evaluate genomes isol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0b40996cb497becbb271df474c8dc7fb
https://doi.org/10.26434/chemrxiv.14045783.v1
https://doi.org/10.26434/chemrxiv.14045783.v1
Autor:
José Fernando Ruggiero Bachega, Martin J. Field, Gerd B. Rocha, Luis Fernando Saraiva Macedo Timmers, Rafael Andrade Caceres, Igor Barden Grillo, Osmar Norberto de Souza
Publikováno v:
Journal of Molecular Modeling
Journal of Molecular Modeling, Springer Verlag (Germany), 2020, 26 (11), pp.297. ⟨10.1007/s00894-020-04536-9⟩
Journal of Molecular Modeling, 2020, 26 (11), pp.297. ⟨10.1007/s00894-020-04536-9⟩
Journal of Molecular Modeling, Springer Verlag (Germany), 2020, 26 (11), pp.297. ⟨10.1007/s00894-020-04536-9⟩
Journal of Molecular Modeling, 2020, 26 (11), pp.297. ⟨10.1007/s00894-020-04536-9⟩
International audience; In this study, we have investigated the enzyme shikimate 5-dehydrogenase from the causative agent of tuberculosis,Mycobacterium tuberculosis. We have employed a mixture of computational techniques, including molecular dynamics
Autor:
Gustavo Machado das Neves, Rafael Andrade Caceres, Luciano Porto Kagami, Vera Lucia Eifler-Lima, Luís Fernando Saraiva Macedo Timmers
Publikováno v:
Computational biology and chemistry. 87
Although molecular dynamics encompasses several applications, studies focusing on biomolecular systems are central issues of this research area. Such simulations require the generation of trajectory files, which provide a path for the analysis and in
Autor:
Paulo A. Netz, Helen Nathalia Thompson, Claudia Elizabeth Thompson, Rafael Andrade Caceres, Laurent Emmanuel Dardenne, Hubert Stassen
Publikováno v:
Journal of Computational Chemistry. 39:2000-2011
Prions are proteins that cause a group of invariably fatal neurodegenerative diseases, one of the most known being bovine spongiform encephalopathy. The three-dimensional structure of PrPSc , the altered isoform of the prion protein, has not been ful
Autor:
Roger Kist, Rafael Andrade Caceres
Publikováno v:
Journal of Biomolecular Structure and Dynamics. 35:3555-3568
The mTOR (mammalian or mechanistic Target Of Rapamycin), a complex metabolic pathway that involves multiple steps and regulators, is a major human metabolic pathway responsible for cell growth control in response to multiple factors and that is dysre
Pathways of cardiac toxicity: comparison between chemotherapeutic drugs doxorubicin and mitoxantrone
Autor:
Dinara Jaqueline Moura, Jenifer Saffi, Roberto Marques Damiani, João Antonio Pêgas Henriques, Cassiana Macagnan Viau, Rafael Andrade Caceres
Publikováno v:
Archives of Toxicology. 90:2063-2076
Anthracyclines, e.g., doxorubicin (DOX), and anthracenediones, e.g., mitoxantrone (MTX), are drugs used in the chemotherapy of several cancer types, including solid and non-solid malignancies such as breast cancer, leukemia, lymphomas, and sarcomas.
Publikováno v:
Journal of molecular graphicsmodelling. 80
The PI3K/Akt/mTOR pathway is an important intracellular signaling pathway in cell cycle regulation and its dysregulation is associated with various types of diseases. mTOR (mechanistic or mammalian target of rapamycin) is the main enzyme that perform