Tidying up the conformational ensemble of a disordered peptide by computational prediction of spectroscopic fingerprints
Abstract
Pairing experiments with simulations, we predict spectroscopic fingerprints, enhancing understanding of disordered peptides' conformational ensembles. This helps rationalize elusive structure-spectra relationships for these peptides and proteins.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2023
- Source ID
- 10.1039/d3sc02202a
Entities
People
- Carl Mensch
- Carole Perry
- Lorenzo Cupellini
- Lucio Colombi Ciacchi
- Massimo Delle Piane
- Monika Michaelis
Organizations
- Air Force Office of Scientific Research
- German Research Foundation
- Nottingham Trent University
- Polytechnic University of Turin
- Research Foundation - Flanders
- University of Antwerp
- University of Bremen
- University of Pisa