Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Christian Vahl Quevedo"'
Autor:
Renata De Paris, Christian Vahl Quevedo, Duncan D. Ruiz, Furia Gargano, Osmar Norberto de Souza
Publikováno v:
BMC Bioinformatics, Vol 19, Iss 1, Pp 1-16 (2018)
Abstract Background In the rational drug design process, an ensemble of conformations obtained from a molecular dynamics simulation plays a crucial role in docking experiments. Some studies have found that Fully-Flexible Receptor (FFR) models predict
Externí odkaz:
https://doaj.org/article/471845d5b84a470bb11d91fc2c028932
Publikováno v:
IJCNN
Sentiment analysis is an important technique to interpret user opinion on products from text, for example, as shared in social media. Recent approaches using deep learning can accurately extract overall sentiment from large datasets. However, extract
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e8fc3928a19ef67be768f076171c7cf0
https://doi.org/10.1109/ijcnn.2018.8489760
https://doi.org/10.1109/ijcnn.2018.8489760
Autor:
Christian Vahl Quevedo, Duncan D. Ruiz, Furia Gargano, Osmar Norberto de Souza, Renata De Paris
Publikováno v:
BMC Bioinformatics, Vol 19, Iss 1, Pp 1-16 (2018)
BMC Bioinformatics
BMC Bioinformatics
Background In the rational drug design process, an ensemble of conformations obtained from a molecular dynamics simulation plays a crucial role in docking experiments. Some studies have found that Fully-Flexible Receptor (FFR) models predict realisti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92850c22f4b3cf60a77c60b1be3793e1
https://doi.org/10.1186/s12859-018-2222-2
https://doi.org/10.1186/s12859-018-2222-2
Publikováno v:
CEC
Molecular Dynamics simulations of protein receptors are an emergent tool in rational drug discovery. Nevertheless, employing Molecular Dynamics trajectories in virtual screening of large repositories is a very costly procedure, which ultimately may b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ae853cd7a252c5c57cdbc9dd59837aa0
https://doi.org/10.1109/cec.2015.7257138
https://doi.org/10.1109/cec.2015.7257138
Publikováno v:
PLoS ONE
PLoS ONE, Vol 10, Iss 7, p e0133172 (2015)
PLoS ONE, Vol 10, Iss 7, p e0133172 (2015)
Protein receptor conformations, obtained from molecular dynamics (MD) simulations, have become a promising treatment of its explicit flexibility in molecular docking experiments applied to drug discovery and development. However, incorporating the en
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a98897182bf5fd8c121cbe2ef3509c50
https://pubmed.ncbi.nlm.nih.gov/26218832
https://pubmed.ncbi.nlm.nih.gov/26218832
Autor:
Renata De Paris, Rodrigo C. Barros, Osmar Norberto de Souza, Christian Vahl Quevedo, Duncan D. Ruiz
Publikováno v:
Computational Intelligence and Neuroscience
Computational Intelligence and Neuroscience, Vol 2015 (2015)
Computational Intelligence and Neuroscience, Vol 2015 (2015)
Molecular dynamics simulations of protein receptors have become an attractive tool for rational drug discovery. However, the high computational cost of employing molecular dynamics trajectories in virtual screening of large repositories threats the f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9eb9c62830d5f71a169ccd5e0e5db57f
https://pubmed.ncbi.nlm.nih.gov/25873944
https://pubmed.ncbi.nlm.nih.gov/25873944
Autor:
Christian Vahl Quevedo, Karina S. Machado, Osmar Norberto de Souza, Duncan D. Ruiz, Ana T. Winck
Publikováno v:
Advances in Bioinformatics and Computational Biology ISBN: 9783642319266
BSB
BSB
A wide range of public ligand databases provides currently dozens of millions ligands to users. Consequently, exaustive in silico virtual screening testing with such a high volume of data is particularly expensive. Because of this, there is a demand
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::97fd7a7d5279e04424178475b033d48c
https://doi.org/10.1007/978-3-642-31927-3_14
https://doi.org/10.1007/978-3-642-31927-3_14
