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1.
PLoS Comput Biol ; 11(5): e1004096, 2015 May.
Artigo em Inglês | MEDLINE | ID: mdl-26020786

RESUMO

Whole-cell models that explicitly represent all cellular components at the molecular level have the potential to predict phenotype from genotype. However, even for simple bacteria, whole-cell models will contain thousands of parameters, many of which are poorly characterized or unknown. New algorithms are needed to estimate these parameters and enable researchers to build increasingly comprehensive models. We organized the Dialogue for Reverse Engineering Assessments and Methods (DREAM) 8 Whole-Cell Parameter Estimation Challenge to develop new parameter estimation algorithms for whole-cell models. We asked participants to identify a subset of parameters of a whole-cell model given the model's structure and in silico "experimental" data. Here we describe the challenge, the best performing methods, and new insights into the identifiability of whole-cell models. We also describe several valuable lessons we learned toward improving future challenges. Going forward, we believe that collaborative efforts supported by inexpensive cloud computing have the potential to solve whole-cell model parameter estimation.


Assuntos
Células/metabolismo , Modelos Biológicos , Algoritmos , Bactérias/genética , Bactérias/metabolismo , Bioengenharia , Computação em Nuvem , Biologia Computacional , Simulação por Computador , Estudos de Associação Genética/estatística & dados numéricos , Mutação , Mycoplasma genitalium/genética , Mycoplasma genitalium/metabolismo
2.
Phys Rev Lett ; 102(6): 067205, 2009 Feb 13.
Artigo em Inglês | MEDLINE | ID: mdl-19257630

RESUMO

We present zero-temperature simulations for the single-particle density of states of the Coulomb glass. Our results in three dimensions are consistent with the Efros and Shklovskii prediction for the density of states. Finite-temperature Monte Carlo simulations show no sign of a thermodynamic glass transition down to low temperatures, in disagreement with mean-field theory. Furthermore, the random-displacement formulation of the model undergoes a transition into a distorted Wigner crystal for a surprisingly broad range of the disorder strength.

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