Studying Interactions by Molecular Dynamics Simulations at High Concentration.
Molecular dynamics simulations have been used to study molecular encounters and recognition. In recent works, simulations using high concentration of interacting molecules have been performed. In this paper, we consider the practical problems for setting up the simulation and to analyse the results...
| Publicado en: | Journal of Biomedicine & Biotechnology Vol. 2012; pp. 1 - 10 |
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| Autores principales: | , , , , , , |
| Formato: | equations & formulas pictorial research tables/charts Journal Article |
| Publicado: |
Wiley-Blackwell
2012
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=ccm&AN=104298170&site=ehost-live header: @attributes: shortDbName: ccm uiTerm: 104298170 longDbName: CINAHL Complete uiTag: AN controlInfo: bkinfo: dissinfo: jinfo: jid: 11107243 137K jtl: Journal of Biomedicine & Biotechnology issn: 11107243 maglogo: N pubinfo: dt: 2012 vid: 2012 pid: 480 pub: Wiley-Blackwell place: Malden, Massachusetts artinfo: ui: 104298170 104298170 2011907091 NLM22500085 PMC3303702 104298170 ppf: 1 ppct: 9 formats: fmt: @attributes: type: P tig: atl: Studying Interactions by Molecular Dynamics Simulations at High Concentration. aug: au: Fogolari, Federico Corazza, Alessandra Toppo, Stefano Tosatto, Silvio C. E. Viglino, Paolo Ursini, Fulvio Esposito, Gennaro affil: Dipartimento di Scienze Mediche e Biologiche, Università di Udine, Piazzale Kolbe 4, 33100 Udine, Italy; Divisione Biomolecole, Istituto Nazionale Biostrutture e Biosistemi, Viale Medaglie d'Oro 305, 00136 Roma, Italy sug: subj: Computer Simulation Methods beta-Globulins Physiology Hydrogen Peroxide Physiology Oxidoreductases Physiology Molecular Biology Diffusion Algorithms Descriptive Statistics Models, Statistical Data Analysis Software Funding Source ab: Molecular dynamics simulations have been used to study molecular encounters and recognition. In recent works, simulations using high concentration of interacting molecules have been performed. In this paper, we consider the practical problems for setting up the simulation and to analyse the results of the simulation. The simulation of beta 2-microglobulin association and the simulation of the binding of hydrogen peroxide by glutathione peroxidase are provided as examples. pubtype: Academic Journal doctype: equations & formulas pictorial research tables/charts Journal Article ougenre: Article language: English refInfo: holdings: @attributes: islocal: N |
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