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 {alpha}-helix propensities. The results are shown to be in agreement with recent experimental results. ((orig.)).
Hansmann, U H.E.;
[1]
Okamoto, Y
[2]
- Konrad-Zuse-Zentrum fuer Informationstechnik Berlin (ZIB) (Germany)
- Department of Physics, Nara Women`s University, Nara 630 (Japan)
Citation Formats
Hansmann, U H.E., and Okamoto, Y.
Multicanonical approach in statistical mechanics of peptides.
Netherlands: N. p.,
1995.
Web.
doi:10.1016/0920-5632(95)00420-E.
Hansmann, U H.E., & Okamoto, Y.
Multicanonical approach in statistical mechanics of peptides.
Netherlands.
https://doi.org/10.1016/0920-5632(95)00420-E
Hansmann, U H.E., and Okamoto, Y.
1995.
"Multicanonical approach in statistical mechanics of peptides."
Netherlands.
https://doi.org/10.1016/0920-5632(95)00420-E.
@misc{etde_101014,
title = {Multicanonical approach in statistical mechanics of peptides}
author = {Hansmann, U H.E., and Okamoto, Y}
abstractNote = {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 {alpha}-helix propensities. The results are shown to be in agreement with recent experimental results. ((orig.)).}
doi = {10.1016/0920-5632(95)00420-E}
journal = []
volume = {42}
journal type = {AC}
place = {Netherlands}
year = {1995}
month = {Apr}
}
title = {Multicanonical approach in statistical mechanics of peptides}
author = {Hansmann, U H.E., and Okamoto, Y}
abstractNote = {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 {alpha}-helix propensities. The results are shown to be in agreement with recent experimental results. ((orig.)).}
doi = {10.1016/0920-5632(95)00420-E}
journal = []
volume = {42}
journal type = {AC}
place = {Netherlands}
year = {1995}
month = {Apr}
}