2D-MH: A web-server for generating graphic representation of protein sequences based on the physicochemical properties of their constituent amino acids
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 …
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 …
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 …
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 …
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 …
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 …
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 …
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 …
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 …
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 …
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 …
Bioinformatics are valuable tools in biomedical sciences. They may become useful in order …