Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review
P Csermely, T Korcsmáros, HJM Kiss, G London… - Pharmacology & …, 2013 - Elsevier
Despite considerable progress in genome-and proteome-based high-throughput screening
methods and in rational drug design, the increase in approved drugs in the past decade did …
methods and in rational drug design, the increase in approved drugs in the past decade did …
Applying network link prediction in drug discovery: an overview of the literature
J Son, D Kim - Expert Opinion on Drug Discovery, 2024 - Taylor & Francis
Introduction Network representation can give a holistic view of relationships for biomedical
entities through network topology. Link prediction estimates the probability of link formation …
entities through network topology. Link prediction estimates the probability of link formation …
Pred-binding: large-scale protein–ligand binding affinity prediction
Drug target interactions (DTIs) are crucial in pharmacology and drug discovery. Presently,
experimental determination of compound–protein interactions remains challenging because …
experimental determination of compound–protein interactions remains challenging because …
ANN multiscale model of anti-HIV drugs activity vs AIDS prevalence in the US at county level based on information indices of molecular graphs and social networks
H González-Díaz, DM Herrera-Ibatá… - Journal of chemical …, 2014 - ACS Publications
This work is aimed at describing the workflow for a methodology that combines
chemoinformatics and pharmacoepidemiology methods and at reporting the first predictive …
chemoinformatics and pharmacoepidemiology methods and at reporting the first predictive …
Towards rational nanomaterial design by predicting drug–nanoparticle system interaction vs. bacterial metabolic networks
K Dieguez-Santana, B Rasulev… - Environmental Science …, 2022 - pubs.rsc.org
The emergence of multidrug-resistant (MDR) strains with perturbed metabolic networks
(MNs) pushes researchers to improve antibacterial drugs (ADs). Certain nanoparticles (NPs) …
(MNs) pushes researchers to improve antibacterial drugs (ADs). Certain nanoparticles (NPs) …
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 …
Information entropy as a basic building block of complexity theory
What is information? What role does information entropy play in this information exploding
age, especially in understanding emergent behaviors of complex systems? To answer these …
age, especially in understanding emergent behaviors of complex systems? To answer these …
Complexity in cancer biology: is systems biology the answer?
E Koutsogiannouli, AG Papavassiliou… - Cancer …, 2013 - Wiley Online Library
Complex phenotypes emerge from the interactions of thousands of macromolecules that are
organized in multimolecular complexes and interacting functional modules. In turn, modules …
organized in multimolecular complexes and interacting functional modules. In turn, modules …
New insights toward the discovery of antibacterial agents: multi-tasking QSBER model for the simultaneous prediction of anti-tuberculosis activity and toxicological …
A Speck-Planche, VV Kleandrova… - European Journal of …, 2013 - Elsevier
Tuberculosis (TB) constitutes one of the most dangerous and serious health problems
around the world. It is a very lethal disease caused by microorganisms of the genus …
around the world. It is a very lethal disease caused by microorganisms of the genus …
IFPTML mapping of nanoparticle antibacterial activity vs. pathogen metabolic networks
B Ortega-Tenezaca, H González-Díaz - Nanoscale, 2021 - pubs.rsc.org
Nanoparticles are useful antimicrobial drug-release systems, but some nanoparticles also
exhibit antibacterial activity. However, investigation of their antibacterial activity is a difficult …
exhibit antibacterial activity. However, investigation of their antibacterial activity is a difficult …