Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2007-10-23
in: Proceedings of the NIC Symposium 2006, John von Neumann Institute for Computing, Juelich, NIC Series vol. 32 (NIC, Juelich
Physics
Condensed Matter
Soft Condensed Matter
8 pages, 3 figures
Scientific paper
Based on a newly developed contact-density chain-growth algorithm, we have simulated a nongrafted peptide in the vicinity of different attractive substrates. We analyzed the specificity of the peptide adsorption by focussing on the conformational transitions the peptide experiences in the binding/unbinding processes. In a single simulation run, we obtained the contact density, i.e., the distribution of intrinsic monomer-monomer contacts and monomer-substrate nearest-neighbor contacts. This allows a systematic reweighting to all values of external control parameters such as temperature and solvent quality after the simulation. The main result is the complete solubility-temperature pseudo-phase diagram which is based on the corresponding specific-heat profile. We find a surprisingly rich structure of pseudo-phases that can roughly be classified into compact and expanded conformations in both regimes, adsorption and desorption. Furthermore, underlying subphases were identified, which, in particular, appear noticeably in the compact pseudo-phases.
Bachmann Michael
Janke Wolfhard
No associations
LandOfFree
Chain-Growth Simulations of Lattice-Peptide Adsorption to Attractive Substrates does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Chain-Growth Simulations of Lattice-Peptide Adsorption to Attractive Substrates, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Chain-Growth Simulations of Lattice-Peptide Adsorption to Attractive Substrates will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-456606