Alisa Khramushin

This study designs metamorphic proteins that switch between multiple conformations and shows how mutations can shift their conformational equilibrium.

PatchMAN2 improves peptide-protein docking efficiency by filtering fragments and focusing sampling on relevant regions, reducing computational cost while maintaining accuracy.

This study computationally designs and validates peptides that inhibit key inflammatory cytokines in IBD, showing reduced cytokine release in vitro.

PatchMAN models peptide-protein interactions by aligning structural motifs on the receptor surface, achieving high accuracy in docking without using sequence information.

The paper applies AlphaFold2 to model peptide-protein interactions using a poly glycine linker, showing accurate predictions without sequence alignment.

The paper describes a workflow to refine protein-peptide complex structures from C-alpha models to high-resolution all-atom models using MODELLER and RosettaFlexPepDock.