GPU-based detection of protein cavities using Gaussian surfaces

Autor: Sérgio E. D. Dias, Ana Mafalda Martins, Quoc T. Nguyen, Abel J. P. Gomes

Publikováno v: BMC Bioinformatics, Vol 18, Iss 1, Pp 1-10 (2017)

Abstract Background Protein cavities play a key role in biomolecular recognition and function, particularly in protein-ligand interactions, as usual in drug discovery and design. Grid-based cavity detection methods aim at finding cavities as aggregat

Externí odkaz: https://doaj.org/article/68592ac98bba4401b345ffedbde5fed5

CavBench: A benchmark for protein cavity detection methods.

Autor: Sérgio Dias, Tiago Simões, Francisco Fernandes, Ana Mafalda Martins, Alfredo Ferreira, Joaquim Jorge, Abel J P Gomes

Publikováno v: PLoS ONE, Vol 14, Iss 10, p e0223596 (2019)

Extensive research has been applied to discover new techniques and methods to model protein-ligand interactions. In particular, considerable efforts focused on identifying candidate binding sites, which quite often are active sites that correspond to

Externí odkaz: https://doaj.org/article/0e948f94bc1045c2be6136deaefb021a

GPU-based detection of protein cavities using Gaussian surfaces

Autor: Abel J. P. Gomes, Sérgio Dias, Quoc Trong Nguyen, Ana Mafalda Martins

Publikováno v: BMC Bioinformatics, Vol 18, Iss 1, Pp 1-10 (2017)
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Agência para a Sociedade do Conhecimento (UMIC)-FCT-Sociedade da Informação
instacron:RCAAP
BMC Bioinformatics

Background Protein cavities play a key role in biomolecular recognition and function, particularly in protein-ligand interactions, as usual in drug discovery and design. Grid-based cavity detection methods aim at finding cavities as aggregates of gri

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01136f8152c2f2f4b699531f65944670
http://link.springer.com/article/10.1186/s12859-017-1913-4

Idiopathic masseter muscle hypertrophy: a case report

Autor: Joana Jorge Antunes, Ana Mafalda Martins, Ricardo Monteiro, Susana Assunção Almeida

Publikováno v: Einstein
Einstein (São Paulo), Vol 17, Iss 2

A hipertrofia idiopatica do masseter e uma patologia rara, caracterizada por aumento uni ou bilateral deste musculo, por vezes associada a exostose do ângulo mandibular.() A etiologia e desconhecida, com possivel relacao com esforcos mastigatorios u

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1fbcde5012157b70a549516a0eca13d3
http://europepmc.org/articles/PMC6394996

A Short-term Longitudinal Study Of The Effectiveness Of Kids Get Fit Fitness And Nutrition Curriculum

Autor: Toyin Ajisafe, Benjamin Hoag, Ana Mafalda Martins, Jose Miguel Malaspina, Jon Roberts, Pranav Gupta

Publikováno v: Medicine & Science in Sports & Exercise. 52:454-454

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c852535a02c3609c810ef23a8f7571ac
https://doi.org/10.1249/01.mss.0000678856.10511.e1