Grid-based Nonequilibrium Multiple-Time Scale Molecular Dynamics/Brownian Dynamics Simulations of Ligand-Receptor Interactions in Structured Protein Systems

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CCGRID
2003
Third IEEE International Symposium on Cluster Computing and the Grid (CCGrid'03)
Abstract - Grid-based Nonequilibrium Multiple-Time Scale Molecular Dynamics/Brownian Dynamics Simulations of Ligand-Receptor Interactions in Structured Protein Systems

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Third IEEE International Symposium on Cluster Computing and the Grid (CCGrid'03)

Tokyo, Japan

May 12-May 15

ISBN: 0-7695-1919-9

	ASCII Text	x
	Yaohang Li, Michael Mascagni, Michael H. Peters, "Grid-based Nonequilibrium Multiple-Time Scale Molecular Dynamics/Brownian Dynamics Simulations of Ligand-Receptor Interactions in Structured Protein Systems," Cluster Computing and the Grid, IEEE International Symposium on, pp. 568, Third IEEE International Symposium on Cluster Computing and the Grid (CCGrid'03), 2003.

	BibTex	x
	@article{ 10.1109/CCGRID.2003.1199415, author = {Yaohang Li and Michael Mascagni and Michael H. Peters}, title = {Grid-based Nonequilibrium Multiple-Time Scale Molecular Dynamics/Brownian Dynamics Simulations of Ligand-Receptor Interactions in Structured Protein Systems}, journal ={Cluster Computing and the Grid, IEEE International Symposium on}, volume = {0}, year = {2003}, isbn = {0-7695-1919-9}, pages = {568}, doi = {http://doi.ieeecomputersociety.org/10.1109/CCGRID.2003.1199415}, publisher = {IEEE Computer Society}, address = {Los Alamitos, CA, USA}, }

	RefWorks Procite/RefMan/Endnote	x
	TY - CONF JO - Cluster Computing and the Grid, IEEE International Symposium on TI - Grid-based Nonequilibrium Multiple-Time Scale Molecular Dynamics/Brownian Dynamics Simulations of Ligand-Receptor Interactions in Structured Protein Systems SN - 0-7695-1919-9 SP EP A1 - Yaohang Li, A1 - Michael Mascagni, A1 - Michael H. Peters, PY - 2003 VL - 0 JA - Cluster Computing and the Grid, IEEE International Symposium on ER -

Yaohang Li, Florida State University

Michael Mascagni, Florida State University

Michael H. Peters, Florida State University and Florida A&M University

DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/CCGRID.2003.1199415

In the hybrid Molecular Dynamics (MD)/Brownian Dynamics (BD) algorithm for simulating the long-time, nonequilibrium dynamics of receptor-ligand interactions, the evaluation of the force autocorrelation function can be computationally costly but fortunately is highly amenable to multimode processing methods. In this paper, taking advantage of the computational grid

Citation:

Yaohang Li, Michael Mascagni, Michael H. Peters, "Grid-based Nonequilibrium Multiple-Time Scale Molecular Dynamics/Brownian Dynamics Simulations of Ligand-Receptor Interactions in Structured Protein Systems," ccgrid, pp.568, Third IEEE International Symposium on Cluster Computing and the Grid (CCGrid'03), 2003

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