Mingfei Zhao

This paper develops a MARTINI 3 compatible coarse-grained forcefield for polypeptoids, enabling efficient simulation of their structure and self-assembly.

This study analyzes structural changes in the SARS-CoV-2 Spike protein between D614G and Delta variants using molecular dynamics simulations to identify allosteric and glycan shielding adaptations affecting virulence and immune evasion.

This study uses molecular dynamics simulations to identify two dynamical events in B-cell receptor activation upon antigen binding.

This study uses molecular dynamics simulations to investigate how the HIV-1 fusion peptide inserts and anchors into a T-cell membrane mimic, identifying a critical motif for fusion.