Performance Evaluation of a Web-Based System to Exchange Electronic Health Records Using Queueing Model (M/M/1)

Torre, Isabel de la; Díaz, Francisco Javier; Anton, Miriam; Martinez, Mario; Diez, Jose Fernando; Boto, Daniel; López, M.; Hornero, Roberto; López, María Isabel

doi:10.1007/s10916-010-9555-3

Cited by 6 publications

(3 citation statements)

References 14 publications

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“…The clearest connections with the current work, however, are to be found in (a) the Sing group's use of an iterative conformational averaging approach that averages the HIs not only over orientations but also over distances 45 and (b) the Garcia de la Torre group's study of the effects of orientational averaging on the diffusional properties of flexible polymers. 11 The interesting method developed by the Sing group has the advantage, once converged, of never requiring an update to either D or S, but this comes at the expense of not allowing fluctuations in the magnitudes of the HIs. The latter aspect makes the approach less appropriate for use in BD-HI simulations that attempt to model the folding behavior of proteins, given that their shapes change drastically upon folding.…”

Section: ■ Discussionmentioning

confidence: 99%

Orientationally Averaged Version of the Rotne–Prager–Yamakawa Tensor Provides a Fast but Still Accurate Treatment of Hydrodynamic Interactions in Brownian Dynamics Simulations of Biological Macromolecules

Tworek

Elcock

2023

J. Chem. Theory Comput.

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The Brownian dynamics (BD) simulation technique is widely used to model the diffusive and conformational dynamics of complex systems comprising biological macromolecules. For the diffusive properties of macromolecules to be described correctly by BD simulations, it is necessary to include hydrodynamic interactions (HIs). When modeled at the Rotne−Prager− Yamakawa (RPY) level of theory, for example, the translational and rotational diffusion coefficients of isolated macromolecules can be accurately reproduced; when HIs are neglected, however, diffusion coefficients can be underestimated by an order of magnitude or more. The principal drawback to the inclusion of HIs in BD simulations is their computational expense, and several previous studies have sought to accelerate their modeling by developing fast approximations for the calculation of the correlated random displacements. Here, we explore the use of an alternative way to accelerate the calculation of HIs, i.e., by replacing the full RPY tensor with an orientationally averaged (OA) version which retains the distance dependence of the HIs but averages out their orientational dependence. We seek here to determine whether such an approximation can be justified in application to the modeling of typical proteins and RNAs. We show that the use of an OA-RPY tensor allows translational diffusion of macromolecules to be modeled with very high accuracy at the cost of rotational diffusion being underestimated by ∼25%. We show that this finding is independent of the type of macromolecule simulated and the level of structural resolution employed in the models. We also show, however, that these results are critically dependent on the inclusion of a non-zero term that describes the divergence of the diffusion tensor: when this term is omitted from simulations that use the OA-RPY model, unfolded macromolecules undergo rapid collapse. Our results indicate that the orientationally averaged RPY tensor is likely to be a useful, fast, approximate way of including HIs in BD simulations of intermediate-scale systems.

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Section: ■ Discussionmentioning

confidence: 99%

Orientationally Averaged Version of the Rotne–Prager–Yamakawa Tensor Provides a Fast but Still Accurate Treatment of Hydrodynamic Interactions in Brownian Dynamics Simulations of Biological Macromolecules

Tworek

Elcock

2023

J. Chem. Theory Comput.

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“…It has been built on Java Servlet and JSP technologies. We employed eXist 1.2.6 database according to results published in (De la Torre, et al, 2010a, 2010b. It verifies the standards related to privacy and confidentiality.…”

Section: Discussionmentioning

confidence: 99%

“…Whereas the United States and Canada are the most advanced www.intechopen.com countries in EHRs integration, in other such as Spain EHRs are not that widespread (Dorr, et al, 2007;Srinivasan, et al, 2007;Cheong, et al, 2009). The authors of the present work accomplished a web-system for ophthalmological EHRs and medical images management, TeleOftalWeb (De la Torre, et al, 2010a;De la Torre, et al, 2010b). This system is in used in the the Institute of Applied Ophthalmobiology (Instituto de Oftalmobiología Aplicada, IOBA) of the University of Valladolid, Spain.…”

Section: Introductionmentioning

confidence: 99%

Mobile Web Application Development to Access to Psychiatric Electronic Health Records

Díez¹,

Antón-Rodríguez²,

Pernas³

2011

Telemedicine Techniques and Applications

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Mobile Access System for the Management of Electronic Health Records of Patients with Mental Disability

Antón-Rodríguez

Díez

Gutiérrez-Diez

et al. 2011

Advances in Intelligent and Soft Computing

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Performance Evaluation of a Web-Based System to Exchange Electronic Health Records Using Queueing Model (M/M/1)

Cited by 6 publications

References 14 publications

Orientationally Averaged Version of the Rotne–Prager–Yamakawa Tensor Provides a Fast but Still Accurate Treatment of Hydrodynamic Interactions in Brownian Dynamics Simulations of Biological Macromolecules

Orientationally Averaged Version of the Rotne–Prager–Yamakawa Tensor Provides a Fast but Still Accurate Treatment of Hydrodynamic Interactions in Brownian Dynamics Simulations of Biological Macromolecules

Mobile Web Application Development to Access to Psychiatric Electronic Health Records

Mobile Access System for the Management of Electronic Health Records of Patients with Mental Disability

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