622 citations · 703 across the 6 of their papers we have counts for
6 papers
FreeSASA: An open source C library for solvent accessible surface area calculations
Simon Mitternacht
Calculating solvent accessible surface areas (SASA) is a run-of-the-mill calculation in structural biology. Although there are many programs available for this calculation, there a…
Mechanical resistance in unstructured proteins
S. Æ. Jónsson, S. Mitternacht, A. Irbäck
Single-molecule pulling experiments on unstructured proteins linked to neurodegenerative diseases have measured rupture forces comparable to those for stable folded proteins. To in…
Unfolding times for proteins in a force clamp
Stefano Luccioli, Alberto Imparato, Simon Mitternacht +2
The escape process from the native valley for proteins subjected to a constant stretching force is examined using a model for a Beta-barrel. For a wide range of forces, the unfoldi…
An effective all-atom potential for proteins
Anders Irbäck, Simon Mitternacht, Sandipan Mohanty
We describe and test an implicit solvent all-atom potential for simulations of protein folding and aggregation. The potential is developed through studies of structural and thermod…
Changing the mechanical unfolding pathway of FnIII10 by tuning the pulling strength
Simon Mitternacht, Stefano Luccioli, Alessandro Torcini +2
We investigate the mechanical unfolding of the tenth type III domain from fibronectin, FnIII10, both at constant force and at constant pulling velocity, by all-atom Monte Carlo sim…
Differences in Solution Behavior among Four Semiconductor-Binding Peptides
Simon Mitternacht, Stefan Schnabel, Michael Bachmann +2
Recent experiments have identified peptides with adhesion affinity for GaAs and Si surfaces. Here we use all-atom Monte Carlo (MC) simulations with implicit solvent to investigate…