Abstract
We test the performance of the multicanonical approach for biological molecules. The simulated molecules are frustrated systems with a complicated energy landscape. The resulting slowing down in simulations is alleviated by our ansatz. We perform a multicanonical simulation of nonpolar amino acids and study their α-helix propensities. The results are shown to be in agreement with recent experimental results.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have