The determination of gyration radius is a strong research for configuration of a Macromolecule. Italso reflects molecular compactness shape. In this work, to characterize the behavior of theprotein, we observe quantities such as the radius of gyration and the average energy. We studiedthe changes of these factors as a function of temperature for Acetylcholine receptor protein in gasphase with n...

We have simulated a magnetite nanoparticle based ferrofluid using Monte Carlo method. Two and three dimensional Monte Carlo simulations have been done using parallel computing technique. The aggregation and rearrangement of nanoparticles embedded in a liquid carrier have been studied in various particle volume fractions. Our simulation results are in complete agreement with the reported experim...

The hydration of biomolecules is vitally important in molecular biology, so in this paper thesolvation energy and radial distribution function of DNA bases have been calculated by theMonte Carlo simulation.The geometries of isolated Adenine, Guanine, Cytosine, and Thyminehave been optimized using 6-31+G(d,p) basis function sets. These geometries then will be used inthe Monte Carlo calculation o...

Propagation of light into scattering media is a complex problem that can be modeled using statistical methods such as Monte Carlo. Few Monte Carlo programs have so far included the information regarding the status of polarization of light before and after a scattering event. Different approaches have been followed and limited numerical values have been made available to the general public. In t...

This tutorial describes numerical methods that are known as Monte Carlo methods. It starts with a basic description of the principles of Monte Carlo methods. It then discusses four individual Monte Carlo methods, describing each individual method and illustrating their use in calculating an integral. These four methods have been implemented in my example program 8.2, and the results from these ...

The Monte Carlo method is rapidly becoming the model of choice for simulating light transport in tissue. This paper provides all the details necessary for implementation of a Monte Carlo program. Variance reduction schemes that improve the efficiency of the Monte Carlo method are discussed. Analytic expressions facilitating convolution calculations for finite flat and Gaussian beams are include...

Probabilistic Logic Programming is receiving an increasing attention for its ability to model domains with complex and uncertain relations among entities. In this paper we concentrate on the problem of approximate inference in probabilistic logic programming languages based on the distribution semantics. A successful approximate approach is based on Monte Carlo sampling, that consists in verify...

Probabilistic Logic Programming is receiving an increasing attention for its ability to model domains with complex and uncertain relations among entities. In this paper we concentrate on the problem of approximate inference in probabilistic logic programming languages based on the distribution semantics. A successful approximate approach is based on Monte Carlo sampling, that consists in verify...