Related Experiment Video
Updated: Nov 9, 2025

A Fluorogenic Peptide Cleavage Assay to Screen for Proteolytic Activity: Applications for coronavirus spike protein activation
Published on: January 9, 2019
Atomistic dynamics of a viral infection process: Release of membrane lytic peptides from a non-enveloped virus
1Department of Molecular and Cell Biology, University of Connecticut, Storrs, CT 06269, USA.
Abstract:
Molecular simulations have played an instrumental role in uncovering the structural dynamics and physical properties of virus capsids. In this work, we move beyond equilibrium physicochemical characterization of a virus system to study a stage of the infection process that is required for viral proliferation. Despite many biochemical and functional studies, the molecular mechanism of host cell entry by non-enveloped viruses remains largely unresolved. Flock House virus (FHV) is a model system for non-enveloped viruses and is the subject of the current study. FHV infects through the acid-dependent endocytic pathway, where low pH triggers externalization of membrane-disrupting (γ) peptides from the capsid interior. Using all-atom equilibrium and enhanced sampling simulations, the mechanism and energetics of γ peptide liberation and the effect of pH on this process are investigated. Our computations agree with experimental findings and reveal nanoscopic details regarding the pH control mechanism, which are not readily accessible in experiments.
Related Concept Videos
What are Viruses?
Viral Structure
Introduction to Virus
Lytic Cycle of Bacteriophages
Viral Replication: Lytic Cycle
Intracellular Movement of Viruses and Bacteria

