Someone on twitter posted a link to this as an example of actual "data integration." Mmm... color me skeptical (here "data integration" reads to me as a synonym for "ad hoc systems biology,") but I need to read it more closely.

"Transitions between metastable conformations of a dipeptide are investigated using classical molecular dynamics simulation with explicit water molecules. The distribution of the surrounding water at different moments before the transitions and the dynamical correlations of water with the peptide's configurational motions indicate that water is the main driving force of the conformational changes."

"Cellular behavior is governed by gene regulatory processes that are intrinsically dynamic and nonlinear, and are subject to non-negligible amounts of random fluctuations. Such conditions are ubiquitous in physical systems, where they have been studied for decades using the tools of statistical and nonlinear physics. The goal of this review is to show how approaches traditionally used in physics can help in reaching a systems-level understanding of living cells. To that end, we present an overview of the dynamical phenomena exhibited by genetic circuits and their functional significance. We also describe the theoretical and experimental approaches that are being used to unravel the relationship between circuit structure and function in dynamical cellular processes under the influence of noise, both at the single-cell level and in cellular populations, where intercellular coupling plays an important role."

"Much of the complexity observed in gene regulation originates from cooperative protein-DNA binding. While studies of the target search of proteins for their specific binding sites on the DNA have revealed design principles for the quantitative characteristics of protein-DNA interactions, no such principles are known for the cooperative interactions between DNA-binding proteins. We consider a simple theoretical model for two interacting transcription factor (TF) species, searching for and binding to two adjacent target sites hidden in the genomic background. We study the kinetic competition of a dimer search pathway and a monomer search pathway, as well as the steady-state regulation function mediated by the two TFs over a broad range of TF-TF interaction strengths. Using a transcriptional AND-logic as exemplary functional context, we identify the functionally desirable regime for the interaction. We find that both weak and very strong TF-TF interactions are favorable, albeit with different characteristics. However, there is also an unfavorable regime of intermediate interactions where the genetic response is prohibitively slow."

"All this results in bacteria gambling all the time: some react to stimulus, some don't, some produce more proteins in response to it, some less. This leads to so called phenotypic heterogeneity, when otherwise (genetically) identical bacteria become very different in terms of their responses.

This could be a good thing and also could be a bad thing. Having a collection of different bugs instead of a clone army will provide certain versatility: some are ready for one conditions, and some are ready for others. For instance, some are ready to grow and divide right away and some are slower and more cautious. Both types of cells can be beneficial in different conditions: the active ones will drive the population growth, but will be sensitive to the antibiotic treatment, and the passive ones will wait until the treatment is over and then they will come to life. Sounds like a good strategy (and it has a name, this strategy - "bed hedging") and I guess it is exactly the reason why clone armies never caught on."

"DataRail is an open source MATLAB toolbox for managing, transforming, visualizing, and modeling data, in particular the high-throughput data encountered in Systems Biology"

"RightField is an open-source tool for adding ontology term selection to Excel spreadsheets. For each annotation field, RightField can specify a range of allowed terms from a chosen ontology (subclasses, individuals or combinations). The resulting spreadsheet presents these terms to the users as a simple drop-down list."

DNA Strand Displacement Simulator (2010-0924)

Andrew Phillips with Luca Cardelli

"How do living cells achieve sufficient abundances of functional protein complexes while minimizing promiscuous non-functional interactions between their proteins? Here we study this problem using a first-principle model of the cell whose phenotypic traits are directly determined from its genome through biophysical properties of protein structures and binding interactions in crowded cellular environment. The model cell includes three independent pathways, whose topologies of PPI subnetworks are different, but whose functional concentrations equally contribute to cell's fitness. The model cells evolve through genotypic mutations and phenotypic protein copy number variations. We found a strong relationship between evolved physical-chemical properties of protein interactions and their abundances due to a "frustration" effect: strengthening of functional interactions brings about hydrophobic surfaces, which make proteins prone to promiscuous binding.…"

"…Here we study the quantitative relation between adaptive response and background compensation within a modeling framework. In contrast to the commonly held view, we show that any particular type of adaptive response is neither sufficient nor necessary for adaptive enlargement of dynamic range. In particular a precise adaptive response, where system activity is maintained at a constant level at steady state, does not ensure a large dynamic range neither in input signal nor in system output. A general mechanism for input dynamic range enlargement comes about from the activity-dependent modulation of protein responsiveness by multiple biochemical modification, regardless of the type of adaptive response it induces. Therefore hierarchical biochemical processes such as methylation and phosphorylation are natural candidates to induce this property in signalling systems."

"A recent study by researchers in Yale and published in PNAS shows that there are significant differences between the network topologies of living systems like E. coli and complex pieces of software such as the Linux Operating System."