3P056 Development of the line confocal system for the single molecule tracking of fast folding dynamics of proteins(01C. Protein: Property,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))
3P056 タンパク質の高速折り畳みダイナミクスの一分子追跡を目指したライン共焦点顕微鏡の開発(01C. 蛋白質:物性,ポスター,第52回日本生物物理学会年会(2014年度))

Hiroyuki Oikawa, Kiyoto Kamagata, Munehito Arai, Atsuhito Fukasawa, Hiroaki Yokota, Toru Ide, Satoshi Takahashi
2014 Seibutsu Butsuri  
Metadynamics (MTD) is an enhanced sampling algorithm applicable for the computational studies of biosystems with high energy barriers and slow modes of motion. It based on a history-dependent bias potential in a collective variable (CV) space. In particular, we are focused on multireplica approaches such as the bias-exchange MTD (BE-MTD), where the CV space is divided into lower dimensionality subspaces for efficiency and scalability. We demonstrate that BE-MTD can be improved (shorter
more » ... n times are required for the same accuracy) by replacing Metropolis-Hastings algorithm with advanced replica exchange schemes. Benchmarks on alanine polypeptides and a small protein are shown. 3P056 タンパク質の高速折り畳みダイナミクスの一分子追跡を目指 したライン共焦点顕微鏡の開発 Development of the line confocal system for the single molecule tracking of fast folding dynamics of proteins
doi:10.2142/biophys.54.s258_2 fatcat:cddutxr245da3nuubfz3hfrtie