[HTML][HTML] Development of novel anti-leishmanials: the case for structure-based approaches

M Soni, JV Pratap - Pathogens, 2022 - mdpi.com
The neglected tropical disease (NTD) leishmaniasis is the collective name given to a diverse
group of illnesses caused by~ 20 species belonging to the genus Leishmania, a majority of …

A survey for predicting enzyme family classes using machine learning methods

JX Tan, H Lv, F Wang, FY Dao, W Chen… - Current drug …, 2019 - ingentaconnect.com
Enzymes are proteins that act as biological catalysts to speed up cellular biochemical
processes. According to their main Enzyme Commission (EC) numbers, enzymes are …

iACP-GAEnsC: Evolutionary genetic algorithm based ensemble classification of anticancer peptides by utilizing hybrid feature space

S Akbar, M Hayat, M Iqbal, MA Jan - Artificial intelligence in medicine, 2017 - Elsevier
Cancer is a fatal disease, responsible for one-quarter of all deaths in developed countries.
Traditional anticancer therapies such as, chemotherapy and radiation, are highly expensive …

Computer-aided nanotoxicology: assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach

F Luan, VV Kleandrova, H González-Díaz, JM Ruso… - Nanoscale, 2014 - pubs.rsc.org
Nowadays, the interest in the search for new nanomaterials with improved electrical, optical,
catalytic and biological properties has increased. Despite the potential benefits that can be …

[HTML][HTML] Computational ecotoxicology: Simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions

VV Kleandrova, F Luan, H González-Díaz… - Environment …, 2014 - Elsevier
Nanotechnology has brought great advances to many fields of modern science. A manifold
of applications of nanoparticles have been found due to their interesting optical, electrical …

Multi-Endpoint Acute Toxicity Assessment of Organic Compounds Using Large-Scale Machine Learning Modeling

A Daghighi, GM Casanola-Martin… - Environmental …, 2024 - ACS Publications
In recent years, alternative animal testing methods such as computational and machine
learning approaches have become increasingly crucial for toxicity testing. However, the …

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 **ao, 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 …

PredictEFC: a fast and efficient multi-label classifier for predicting enzyme family classes

L Chen, C Zhang, J Xu - BMC bioinformatics, 2024 - Springer
Background Enzymes play an irreplaceable and important role in maintaining the lives of
living organisms. The Enzyme Commission (EC) number of an enzyme indicates its …

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 …