Search
Now showing items 1-10 of 28
Unraveling druggable cancer-driving proteins and targeted drugs using artificial intelligence and multi-omics analyses
(Nature Research, 2024-08)
[Abstract]: The druggable proteome refers to proteins that can bind to small molecules with appropriate chemical affinity, inducing a favorable clinical response. Predicting druggable proteins through screening and in ...
S2SNet: a tool for transforming characters and numeric sequences into star network topological indices in chemoinformatics, bioinformatics, biomedical, and social-legal sciences
(Bentham, 2013)
[Abstract] The study of complex systems such as proteins/DNA/RNA or dynamics of tax law systems can be carried out with the complex network theory. This allows the numerical quantification of the significant information ...
Gene Prioritization through Consensus Strategy, Enrichment Methodologies Analysis, and Networking for Osteosarcoma Pathogenesis
(M D P I AG, 2020-02-05)
[Abstract] Osteosarcoma is the most common subtype of primary bone cancer, affecting mostly adolescents. In recent years, several studies have focused on elucidating the molecular mechanisms of this sarcoma; however, its ...
Decrypting strong and weak single-walled carbon nanotubes interactions with mitochondrial voltage-dependent anion channels using molecular docking and perturbation theory
(Nature, 2017-10-16)
[Abstract] The current molecular docking study provided the Free Energy of Binding (FEB) for the interaction (nanotoxicity) between VDAC mitochondrial channels of three species (VDAC1-Mus musculus, VDAC1-Homo sapiens, ...
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
(American Chemical Society, 2014)
[Abstract] This work is aimed at describing the workflow for a methodology that combines chemoinformatics and pharmacoepidemiology methods and at reporting the first predictive model developed with this methodology. The ...
MIANN models of networks of biochemical reactions, ecosystems, and U.S. Supreme Court with Balaban-Markov indices
(Bentham Science, 2015)
[Abstract] We can use Artificial Neural Networks (ANNs) and graph Topological Indices (TIs) to seek structure-property relationship. Balabans’ J index is one of the classic TIs for chemo-informatics studies. We used here ...
Experimental Study and ANN Dual-Time Scale Perturbation Model of Electrokinetic Properties of Microbiota
(Frontiers Science, 2017-06-30)
[Abstract] The electrokinetic properties of the rumen microbiota are involved in cell surface adhesion and microbial metabolism. An in vitro study was carried out in batch culture to determine the effects of three levels ...
Experimental study and random forest prediction model of microbiome cell surface hydrophobicity
(Elsevier, 2016-11-09)
[Abstract] The cell surface hydrophobicity (CSH) is an assessable physicochemical property used to evaluate the microbial adhesion to the surface of biomaterials, which is an essential step in the microbial biofilm formation ...
Experimental and chemometric studies of cell membrane permeability
(Elsevier, 2016-03-18)
[Abstract] Cell membrane permeability (P) governs the molecules or ions to transport through the cell membrane. In this study, we measured P of ruminal microbes in different initial levels of surface tension (ST) and ...