Simulated improved

In most cases models describing biogeochemical cycles are used to estimate the concentration (or total mass) in the various reservoirs based on information about source and sink processes, as in the examples given in Section 4.4. This is often called forward modeling. If direct measurements of the concentration are available, they can be compared to the model estimates. This process is referred to as model testing. If there are significant differences between observations and model simulations, improvements in the model are necessary. A natural step is then to reconsider the specification of the sources and/or the sinks and perform additional simulations. 

Oelschlaeger P, Klahn M, Beard WA et al (2007) Magnesium-cationic dummy atom molecules enhance representation of DNA polymerase beta in molecular dynamics simulations improved accuracy in studies of structural features and mutational effects. J Mol Biol 366 687-701. doi 10.1016/J.Jmb. 2006.10.095... 

Flynn David Lubinski, I picked up your comments on Murray. The sociologists have had a serious setback. Murray s utopian experiment simulated improving people in terms of SES plus other factors, and it looks like if we were to improve those environmental factors, people would not benefit as much as we would hope. 

A number of new approaches to the problem of evaluating dispersion at micro-and mesoscopic scales have appeared during the past 10 to 15 yr. In particular, cellular automata modeling, advances in numerical simulations, improved physical micromodels, and the development and application of fractal and percolation concepts are significant steps. Most of these approaches are outgrowths of the computer revolution that took place over the same period. In fact, the development of more formal mathematical foundations for some of these approaches has followed their implementation on computers. 

Besides microscopic technologies, the molecular dynamics simulation using coarse grain models to speed up the simulations improved the understanding of the effects of tentacle surface modifications (Cavalloti, 2008). The tentacular structure of lEX materials is characterized by a macroscopic reorganization caused by... 

With regard to simulations, improved Monte Carlo methods have been developed for characterizing cyclic polymers in the melt. A simple... 

Keeping the above remarks in mind, the stages in a full programme of simulation of a pilot polymer flood would include the following four steps preliminary 2-D evaluation simulations, improved waterflood history match, simulation of tracer flood (possibly) and further polymer simulations. Each of these stages is discussed in turn below. 

Fitting and Eliminating to the TMS Induced Artifact on the Measured EEG by the Equivalent Circuit Simulation Improved Performance... 

The AMBER software and AMBER force fields are widely used for the simulation of various systems of biological and material science importance. Some researchers develop proper additions and corrections to standard parameters for better description of specific systems. We refer to only two of many such examples. Perez et al. (2007) reparameterized the parm99 force field for nucleic acid simulations, improving the representation of the a/y conformational space, which seems to be poorly represented in very long DNA MD simulations with available AMBER force fields. Song et al. (2008) adjusted the AMBER force field to reproduce conformational properties of an oxidative DNA lesion, 2,6-diamino-4-hydroxy-5-formamidopyrimidine. 

Our point here is not to claim a complete description of the phenomena. It is that even at the primitive model level the inclusion of dispersion effects accounts for at least some specific ion effects. Inclusion of potential of mean force (PMF) from simulations improves the understanding of the Hofineister effect significantly. Both ionic dispersion potentials and the PMF depend on the polarisability of the ions. It has been firmly established that the polarisability has an important role for the ion specificity observed in colloidal systems and in biology. 

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