2D-MH: A web-server for generating graphic representation of protein sequences based on the physicochemical properties of their constituent amino acids

ZC Wu, X Xiao, KC Chou - Journal of theoretical biology, 2010 - Elsevier
Introduction of graphic representation for biological sequences can provide intuitive overall
pictures as well as useful insights for performing large-scale analysis. Here, a new two …

Anti-cancer drug development: computational strategies to identify and target proteins involved in cancer metabolism

L Mak, S Liggi, L Tan, K Kusonmano… - Current …, 2013 - ingentaconnect.com
Cancer remains a fundamental burden to public health despite substantial efforts aimed at
developing effective chemotherapeutics and significant advances in chemotherapeutic …

From QSAR models of drugs to complex networks: state-of-art review and introduction of new Markov-spectral moments indices

P Riera-Fernández, R Martin-Romalde… - Current Topics in …, 2012 - ingentaconnect.com
Quantitative Structure-Activity/Property Relationships (QSAR/QSPR) models have been
largely used for different kind of problems in Medicinal Chemistry and other Biosciences as …

MIND-BEST: Web Server for Drugs and Target Discovery; Design, Synthesis, and Assay of MAO-B Inhibitors and Theoretical− Experimental Study of G3PDH Protein …

H González-Díaz, F Prado-Prado… - Journal of proteome …, 2011 - ACS Publications
Many drugs with very different affinity to a large number of receptors are described. Thus, in
this work, we selected drug− target pairs (DTPs/nDTPs) of drugs with high affinity/nonaffinity …

PTML model of enzyme subclasses for mining the proteome of biofuel producing microorganisms

R Concu, MN DS Cordeiro, CR Munteanu… - Journal of proteome …, 2019 - ACS Publications
Predicting enzyme function and enzyme subclasses is always a key objective in fields such
as biotechnology, biochemistry, medicinal chemistry, physiology, and so on. The Protein …

Experimental–computational study of carbon nanotube effects on mitochondrial respiration: In silico nano-QSPR machine learning models based on new Raman …

M González-Durruthy, LC Alberici, C Curti… - Journal of Chemical …, 2017 - ACS Publications
The study of selective toxicity of carbon nanotubes (CNTs) on mitochondria (CNT-
mitotoxicity) is of major interest for future biomedical applications. In the current work, the …

Alignment-free method to predict enzyme classes and subclasses

R Concu, MNDS Cordeiro - International journal of molecular sciences, 2019 - mdpi.com
The Enzyme Classification (EC) number is a numerical classification scheme for enzymes,
established using the chemical reactions they catalyze. This classification is based on the …

Evolutionary computation and QSAR research

V Aguiar-Pulido, M Gestal… - … computer-aided drug …, 2013 - ingentaconnect.com
The successful high throughput screening of molecule libraries for a specific biological
property is one of the main improvements in drug discovery. The virtual molecular filtering …

3D MI-DRAGON: new model for the reconstruction of US FDA drug-target network and theoretical-experimental studies of inhibitors of rasagiline derivatives for AChE

F Prado-Prado, X Garcia-Mera… - Current topics in …, 2012 - ingentaconnect.com
The number of neurodegenerative diseases has been increasing in recent years. Many of
the drug candidates to be used in the treatment of neurodegenerative diseases present …

Editorial [Hot topic: QSAR and Complex Networks in Pharmaceutical Design, Microbiology, Parasitology, Toxicology, Cancer and Neurosciences (Executive Editor …

H Gonzalez-Diaz - Current pharmaceutical design, 2010 - ingentaconnect.com
Both, computer-aided Pharmaceutical Design and Drug Target Discovery using
Bioinformatics are valuable tools in biomedical sciences. They may become useful in order …