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The free-energy landscape of two peptides is evaluated at various temperatures and an estimate for its fractal dimension at these temperatures calculated. We show that monitoring this quantity as a function of temperature allows to determine the glass transition temperature.
In this paper we consider a generalization to the asexual version of the Penna model for biological aging, where we take a continuous time limit. The genotype associated to each individual is an interval of real numbers over which Dirac $δ$--functions are defined, representing genetically programmed diseases to be switched on at defined ages of the individual life. We discuss two different continuous limits for the evolution equation and two different mutation protocols, to be implemented during reproduction. Exact stationary solutions are obtained and scaling properties are discussed.
We derive catastrophic senescence of the Pacific salmon from an aging model which was recently proposed by Stauffer. The model is based on the postulates of a minimum reproduction age and a maximal genetic lifespan. It allows for self-organization of a typical age of first reproduction and a typical age of death. Our Monte Carlo simulations of the population dynamics show that the model leads to catastrophic senescence for semelparous reproduction as it occurs in the case of salmon, but to a more gradually increase of senescence for iteroparous reproduction.
Recent experiments at the level of a single cell have shown that gene expression occurs in abrupt stochastic bursts. Further, in an ensemble of cells, the levels of proteins produced have a bimodal distribution. In a large fraction of cells, the gene expression is either off or has a high value. We propose a stochastic model of gene expression the essential features of which are stochasticity and cooperative binding of RNA polymerase. The model can reproduce the bimodal behaviour seen in experiments.
Recently, Lenski et al [Elena,Lenski,Travisano] have carried out several experiments on bacterial evolution. Their findings support the theory of punctuated equilibrium in biological evolution. They have further quantified the relative contributions of adaptation, chance and history to bacterial evolution. In this paper, we show that a modified $M$-trait Bak-Sneppen model can explain many of the experimental results in a qualitative manner.
It is shown that if the computer model of biological ageing proposed by Stauffer is modified such that the late reproduction is privileged then the Gompertz law of exponential increase of mortality can be retrieved.
Using a bit string model, we show that asexual reproduction for diploids is more efficient than for haploids: it improves genetic material producing new individuals with less deleterious mutations. We also see that in a system where competition is present, diploids dominate, even though we consider some dominant loci.
We study the simple evolutionary process in which we repeatedly find the least fit agent in a population of agents and give it a new fitness which is chosen independently at random from a specified distribution. We show that many of the average properties of this process can be calculated exactly using analytic methods. In particular we find the distribution of fitnesses at arbitrary time, and the distribution of the lengths of runs of hits on the same agent, the latter being found to follow a power law with exponent -1, similar to the distribution of times between evolutionary events in the Bak-Sneppen model and models based on the so-called record dynamics. We confirm our analytic results with extensive numerical simulations.
We use a simple model for biological ageing to study the mortality of the population, obtaining a good agreement with the Gompertz law. We also simulate the same model on a square lattice, considering different strategies of parental care. The results are in agreement with those obtained earlier with the more complicated Penna model for biological ageing. Finally, we present the sexual version of this simple model.
A modified version of susceptible-infected-recovered-susceptible (SIRS) model for the outbreaks of foot-and-mouth disease (FMD) is introduced. The model is defined on small-world networks, and a ring vaccination programme is included. This model can be a theoretical explanation for the nonlocal interactions in epidemic spreading. Ring vaccination is capable of eradicating FMD provided that the probability of infection is high enough. Also an analytical approximation for this model is studied.
Complementarity is one of the main features underlying the interactions in biological and biochemical systems. Inspired by those systems we propose a model for the dynamical evolution of a system composed by agents that interact due to their complementary attributes rather than their similarities. Each agent is represented by a bit-string and has an activity associated to it; the coupling among complementary peers depends on their activity. The connectivity of the system changes in time respecting the constraint of complementarity. We observe the formation of a network of active agents whose stability depends on the rate at which activity diffuses in the system. The model exhibits a non-equilibrium phase transition between the ordered phase, where a stable network is generated, and a disordered phase characterized by the absence of correlation among the agents. The ordered phase exhibits multi-modal distributions of connectivity and activity, indicating a hierarchy of interaction among different populations characterized by different degrees of activity. This model may be used to study the hierarchy observed in social organizations as well as in business and other networks.
We consider two types of Go models of a protein (crambin) and study their kinetics through molecular dynamics simulations. In the first model, the residue -- residue contact interactions are selected based on a cutoff distance, $R_c$, between the C$_α$ atoms. The folding times depend on the value of $R_c$ strongly and non-monotonically due to the interplay between frustration and the free energy barrier for folding. This indicates a need for a physically determined set of native contacts that takes into account all the residual atoms. %%. One may accomplish it This can be accomplished by considering the van der Waals radii of the atoms and checking if %%the atoms overlap. they are found within a proper range of the van der Waals attraction. In the second model, non-native attractive contacts are added to the system. This leads to bad foldability. However, for a small number of such extra contacts there is a slight acceleration in the kinetics of folding.
We have simulated, as a showcase, the pentapeptide Met-enkephalin (Tyr-Gly-Gly-Phe-Met) to visualize the energy landscape and investigate the conformational coverage by the multicanonical method. We have obtained a three-dimensional topographic picture of the whole energy landscape by plotting the histogram with respect to energy(temperature) and the order parameter, which gives the degree of resemblance of any created conformation with the global energy minimum (GEM).
We propose and solve a Hamiltonian model for multidimensional epistastatic interactions between beneficial mutations. The model is able to give rise either to a phase transition between two equilibrium states, without any coexistence, or exhibits a state where hybrid species can coexist, with gradual passage from one wild type to another. The transition takes place as a function of the "tolerance" of the environment, which we define as the amount of noise in the system.
We introduce into the Penna Model for biological ageing one of the possible male mechanisms used to maximize the ability of their sperm to compete with sperm from other males. Such a selfish mechanism increases the male reproduction success but may decrease the survival probability of the whole female population, depending on how it acts. We also find a dynamic phase transition induced by the existence of an absorbing state where no selfish males survive.
Some modified versions of susceptible-infected-recovered-susceptible (SIRS) model are defined on small-world networks. Latency, incubation and variable susceptibility are included, separately. Phase transitions in these models are studied. Then inhomogeneous models are introduced. In some cases, the application of the models to small-world networks is shown to increase the epidemic region.
A bit-string model of biological life-histories is parallelized, with hundreds of millions of individuals. It gives the desired drastic decay of survival probabilities with increasing age for 32 age intervals.
We study both analytically and numerically the effects of including refractory periods in the Hopfield model for associative memory. These periods are introduced in the dynamics of the network as thresholds that depend on the state of the neuron at the previous time. Both the retrieval properties and the dynamical behaviour are analyzed.