Impact of binding site comparisons on medicinal chemistry and rational molecular design

C Ehrt, T Brinkjost, O Koch - Journal of medicinal chemistry, 2016 - ACS Publications
Modern rational drug design not only deals with the search for ligands binding to interesting
and promising validated targets but also aims to identify the function and ligands of yet …

Supervised variational relevance learning, an analytic geometric feature selection with applications to omic datasets

M Boareto, J Cesar, VBP Leite… - IEEE/ACM Transactions …, 2014 - ieeexplore.ieee.org
We introduce Supervised Variational Relevance Learning (Suvrel), a variational method to
determine metric tensors to define distance based similarity in pattern classification, inspired …

Isofunctional protein subfamily detection using data integration and spectral clustering

E Boari de Lima, W Meira… - PLoS computational …, 2016 - journals.plos.org
As increasingly more genomes are sequenced, the vast majority of proteins may only be
annotated computationally, given experimental investigation is extremely costly. This …

Genome‐wide computational determination of the human metalloproteome

A Azia, R Levy, R Unger, M Edelman… - Proteins: Structure …, 2015 - Wiley Online Library
Accurate prediction of protein function in humans is important for understanding biological
processes at the molecular level in biomedicine and drug design. Over a third of proteins are …

A new protein structure representation for efficient protein function prediction

HA Maghawry, MGM Mostafa… - Journal of Computational …, 2014 - liebertpub.com
One of the challenging problems in bioinformatics is the prediction of protein function.
Protein function is the main key that can be used to classify different proteins. Protein …

Differential expression analysis in RNA-seq data using a geometric approach

T Tambonis, M Boareto, VBP Leite - Journal of Computational …, 2018 - liebertpub.com
Although differential gene expression (DGE) profiling in RNA-seq is used by many
researchers, new packages and pipelines are continuously being presented as a result of …

Detecção de subfamílias proteicas isofuncionais utilizando integração de dados e agrupamento espectral

EB de Lima - 2015 - repositorio.ufmg.br
Apesar dos melhores esforços de pesquisa, uma quantidade substancial e crescente de
proteínas ainda apresenta função desconhecida. À medida que novos genomas são …

[PDF][PDF] Structural protein function prediction-a comprehensive review

HA Maghawry, MGM Mostafa… - … Journal of Modern …, 2015 - mecs-press.org
The large amounts of available protein structures emerges the need for computational
methods for protein function prediction. Predicting protein function is mainly based on …

[PDF][PDF] Primena neuronskih mreža na predviđanje funkcijeenzima odredivanjem njihovog EC broja

N Ćirić - 2020 - elibrary.matf.bg.ac.rs
Enzimi su vrsta biološki aktivnih proteina koji katalizuju hemijske reakcije neophodne za
odvijanje metabolickih funkcija u celijama. Poznavanje funkcija enzima je stoga esencijalno …

[PDF][PDF] Primena neuronskih mreza na predvidanje funkcije enzima odredivanjem njihovog EC broja

N Ciric, J Kovacevic, M Nikolic, G Pavlovic-Lazetic - racunarstvo.matf.bg.ac.rs
Enzimi su vrsta biološki aktivnih proteina koji katalizuju hemijske reakcije neophodne za
odvijanje metabolickih funkcija u celijama. Poznavanje funkcija enzima je stoga esencijalno …