{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,28]],"date-time":"2026-02-28T07:09:19Z","timestamp":1772262559279,"version":"3.50.1"},"reference-count":10,"publisher":"AIP Publishing","issue":"15","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2006,10,21]]},"abstract":"<jats:p>This work presents a systematic multiscale methodology to provide a more faithful representation of real dynamics in coarse-grained molecular simulation models. The theoretical formalism is based on the recently developed multiscale coarse-graining (MS-CG) method [S. Izvekov and G. A. Voth, J. Phys. Chem. B.\u2008109, 2469 (2005); J. Chem. Phys.\u2008123, 134105 (2005)] and relies on the generalized Langevin equation approach and its simpler Langevin equation limit. The friction coefficients are determined in multiscale fashion from the underlying all-atom molecular dynamics simulations using force-velocity and velocity-velocity correlation functions for the coarse-grained sites. The diffusion properties in the resulting CG Brownian dynamics simulations are shown to be quite accurate. The time dependence of the velocity autocorrelation function is also well-reproduced relative to the all-atom model if sufficient resolution of the CG sites is implemented.<\/jats:p>","DOI":"10.1063\/1.2360580","type":"journal-article","created":{"date-parts":[[2006,10,18]],"date-time":"2006-10-18T15:15:27Z","timestamp":1161184527000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":190,"title":["Modeling real dynamics in the coarse-grained representation of condensed phase systems"],"prefix":"10.1063","volume":"125","author":[{"given":"Sergei","family":"Izvekov","sequence":"first","affiliation":[{"name":"University of Utah Center for Biophysical Modeling and Simulation and Department of Chemistry, , Salt Lake City, Utah 84112-0850"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Gregory A.","family":"Voth","sequence":"additional","affiliation":[{"name":"University of Utah Center for Biophysical Modeling and Simulation and Department of Chemistry, , Salt Lake City, Utah 84112-0850"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","published-online":{"date-parts":[[2006,10,16]]},"reference":[{"key":"2023080209425583900_c1","year":"2006"},{"key":"2023080209425583900_c2","first-page":"135","volume-title":"Lectures in Theoretical Physics","author":"Brittin","year":"1961"},{"key":"2023080209425583900_c3","doi-asserted-by":"publisher","first-page":"423","DOI":"10.1143\/PTP.33.423","volume":"33","year":"1965","journal-title":"Prog. 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