Modulation of specific interactions within a viral fusion protein predicted from machine learning blocks membrane fusion.

Abstract excerpt

Enveloped viruses must enter host cells to initiate infections through a fusion process, during which the fusion proteins undergo significant and complex structural changes from pre-fusion to post-fusion conformations. Understanding of the fusion protein conformational stability, and rapid and accurate identification of the stabilizing interactions are critically important for inhibiting the infections. Here, we...

Topics

• Machine Learning
• Molecular Dynamics Simulation
• Viral Fusion Proteins
• Membrane Fusion
• Mutation
• Virus Internalization