Abstract:
A method for analyzing the protein site similarity was devised aiming at understanding selectivity of homologous proteins and guiding the design of new drugs. The method is based on calculating Cα distances between selected pocket residues and subsequent analysis by multivariate methods. Five closely related serine proteases, the coagulation factors II, VII, IX, X, and XI, were studied and their pocket similarity was illustrated by PCA clustering. OPLS-DA was then applied to identify the residues responsible for the variation. By combining these two multivariate methods, we could successfully cluster the different proteases according to class and identify the important residues responsible for the observed variation.

Abstract:
Marketing knowledge usefulness has been the object of increasing concern within the discipline. Numerous shortcomings of its various aspects have been identified, elaborated and accompanied with sophisticated solutions. Further progress in this direction is potentially much greater in a case of acceptance of the user perspective approach. In relation to the behavior of a marketing manager, simple acceptability-affordability-availability awareness concept is presented. It redirects our attention to the manager’s point of view and serves as an illustration of highly desirable more complex works. Proposed development leads to the creation and integration of behavior models specific to each group of marketing knowledge stakeholders managers, students, academics and society.

Abstract:
We propose an extension of the nonequilibrium invaded cluster (IC) algorithm, which reestablishes a correct scaling of fluctuations at criticality and also self-adjusts to the critical temperature. We show that by introducing a single constraint to the intrinsic quantity of the IC algorithm the temperature becomes well defined and the sampling of the equilibrium ensemble is regained. The procedure is applied to the Potts model in two and three dimensions.

Abstract:
We present a detailed study of the Equilibriumlike invaded cluster algorithm (EIC), recently proposed as an extension of the invaded cluster (IC) algorithm, designed to drive the system to criticality while still preserving the equilibrium ensemble. We perform extensive simulations on two special cases of the Potts model and examine the precision of critical exponents by including the leading corrections. We show that both thermal and magnetic critical exponents can be obtained with high accuracy compared to the best available results. The choice of the auxiliary parameters of the algorithm is discussed in context of dynamical properties. We also discuss the relation to the Li-Sokal bound for the dynamical exponent $z$.

Abstract:
The first-order phase transition in the one-dimensional $q$-state Potts model with long-range interactions decaying with distance as $1/r^{1+\sigma}$ has been studied by Monte Carlo numerical simulations for $0 < \sigma \le 1$ and integer values of $q > 2$. On the basis of finite-size scaling analysis of interface free energy $\Delta F_L$, specific heat and Binder's fourth order cumulant, we obtain the first-order transition which occurs for $\sigma$ below a threshold value $\sigma_c(q)$.

Abstract:
The first-order phase transition in the three-state Potts model with long-range interactions decaying as $1/r^{1+\sigma}$ has been examined by numerical simulations using recently proposed Luijten-Bl\"ote algorithm. By applying scaling arguments to the interface free energy, the Binder's fourth-order cumulant, and the specific heat maximum, the change in the character of the transition through variation of parameter $\sigma$ was studied.

Abstract:
The critical behaviour of the one-dimensional q-state Potts model with long-range interactions decaying with distance r as $r^{-(1+\sigma)}$ has been studied in the wide range of parameters $0 < \sigma \le 1$ and $\frac{1}{16} \le q \le 64$. A transfer matrix has been constructed for a truncated range of interactions for integer and continuous q, and finite range scaling has been applied. Results for the phase diagram and the correlation length critical exponent are presented.

Abstract:
We have done a finite-size scaling study of a continuous phase transition altered by the quenched bond disorder, investigating systems at quasicritical temperatures of each disorder realization by using the equilibriumlike invaded cluster algorithm. Our results indicate that in order to access the thermal critical exponent $y_\tau$, it is necessary to average the free energy at quasicritical temperatures of each disorder configuration. Despite the thermal fluctuations on the scale of the system at the transition point, we find that spatial inhomogeneities form in the system and become more pronounced as the size of the system increases. This leads to different exponents describing rescaling of the fluctuations of observables in disorder and thermodynamic ensembles.

Abstract:
The phase diagram of the two- and three-state Potts model with infinite-range interactions, in the external field is analyzed by studying the partition function zeros in the complex field plane. The tricritical point of the three-state model is observed as the approach of the zeros to the real axis at the nonzero field value. Different regimes, involving several first- and second-order transitions of the complicated phase diagram of the three state model are identified from the scaling properties of the zeros closest to the real axis. The critical exponents related to the tricritical point and the Yang-Lee edge singularity are well reproduced. Calculations are extended to the negative fields, where the exact implicit expression for the transition line is derived.

Abstract:
We examine the order of the phase transition in the Potts model by using the graph representation for the partition function, which allows treating a non-integer number of Potts states. The order of transition is determined by the analysis of the shape of the graph-weight probability distribution. The approach is illustrated on special cases of the one-dimensional Potts model with long-range interactions and on its mean-field limit.