Integrating network pharmacology and in silico analysis deciphers Withaferin-A's anti-breast cancer potential via hedgehog pathway and target network interplay

M Srinivasan, A Gangurde, AY Chandane… - Briefings in …, 2024 - academic.oup.com
This study examines the remarkable effectiveness of Withaferin-A (WA), a withanolide
obtained from Withania somnifera (Ashwagandha), in encountering the mortiferous breast …

Integrated modeling of protein and RNA

H Liu, Y Zhao - Briefings in Bioinformatics, 2024 - academic.oup.com
The correct functioning of organisms heavily relies on proteins and RNAs, which hold
significant roles in governing biological pathways and mechanisms from a molecular …

SPIN: SE (3)-Invariant Physics Informed Network for Binding Affinity Prediction

S Choi, S Seo, S Park - arXiv preprint arXiv:2407.11057, 2024 - arxiv.org
Accurate prediction of protein-ligand binding affinity is crucial for rapid and efficient drug
development. Recently, the importance of predicting binding affinity has led to increased …

Protein-drug binding affinity prediction with machine learning: Assessing the impact of features from molecular dynamic simulations

GA Guttormsson, L Le Gallo - 2024 - diva-portal.org
The development of medicine is generally a long and costly process, and one big factor is
estimating the affinity of protein-drug binding. Leveraging machine learning in this field is a …

Inteligencia artificial en el desarrollo de terapias contra el cáncer de pulmón. Revisión sistemática de alcance

E Carmona Lozoya - 2024 - dspace.umh.es
Antecedentes: La inteligencia artificial (IA) ha revolucionado significativamente la sociedad
contemporánea, su influencia abarca una gran variedad de campos, y la investigación …