Sinan Keten Molecular modeling, adhesive and structural proteins, bioinspired materials

Research Interests

Our research group focuses on computational modeling of proteins and peptide-based materials to understand structure-property-function relationships. Our core expertise is in molecular dynamics and multi-scale simulation of biomolecular assemblies to study self-assembly, allostery, transport, and broadly dynamical/mechanical properties. We investigate primarily structural proteins and cell adhesion molecules to understand the principles governing the design of biological components that serve mechanical or adhesive roles. Lessons learned from these fundamental investigations are translated into design principles for biomolecular/bioinspired materials.

Selected Publications

Structural predictions for curli amyloid fibril subunits CsgA and CsgB. DeBenedictis EP, Ma D, and Keten S. RSC Advances. 2017 October 16;7(76):48102-48112.

Adhesion mechanisms of curli subunit CsgA to abiotic surfaces. DeBenedictis EP, Liu J, and Keten S. Science Advances. 2016 November 18;2(11):e1600998.

Internal Structure of 15 nm 3-Helix Micelle Revealed by Small-Angle Neutron Scattering and Coarse-Grained MD Simulation. Ang J, Ma D, Lund R, Keten S, and Xu T. Biomacromolecules. 2016 October 10;17(10):3262-3267.

The role of mechanics in biological and bio-inspired systems. Egan P, Sinko R, LeDuc PR, and Keten S. Nature Communications. 2015 Jul 6;6:7418.

Regulating Ion Transport in Peptide Nanotubes by Tailoring the Nanotube Lumen Chemistry. Ruiz L, Benjamin A, Sullivan M, and Keten S. Journal of Physical Chemistry Letters. 2015 May 7;6(9):1514-1520.

View all publications by Sinan Keten listed in the National Library of Medicine (PubMed).