[HTML][HTML] Modeling Viral Capsid Assembly: A Review of Computational Strategies and Applications

W Guo, E Alarcon, JE Sanchez, C **ao, L Li - Cells, 2024 - pmc.ncbi.nlm.nih.gov
Viral capsid assembly is a complex and critical process, essential for understanding viral
behavior, evolution, and the development of antiviral treatments, vaccines, and …

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 …

Local Microenvironments of capsomer variants in the PBCV-1

W Guo, E Alarcon, JE Sanchez, C **ao, L Li - bioRxiv, 2025 - biorxiv.org
PBCV-1, a giant virus classified among the Nucleocytoviricota virus (NCV) whose structure
has been determined to near atomic resolution. The majority capsomers forming the capsid …

Electrostatic interactions in nucleosome and higher-order structures are regulated by protonation state of histone ionizable residue

H Zhang, W Guo, W Xu, A Li, L Jiang, L Li, Y Peng - bioRxiv, 2024 - biorxiv.org
The nucleosome serves as the fundamental unit of chromatin organization, with electrostatic
interactions acting as the driving forces in the folding of nucleosomes into chromatin …