One approach to incorporate protein flexibility in molecular docking is the use of an ensemble consisting of multiple protein structures. Sequentially docking each ligand into a large number of protein structures is computationally too expensive to allow large-scale database screening. It is challenging to achieve a good balance between docking accuracy and computational efficiency. In this wor...

in this paper, we introduce new classes $sum_{k,p,n}(alpha ,m,lambda ,l,rho )$ and $mathcal{t}_{k,p,n}(alpha ,m,lambda ,l,rho )$ of p-valent meromorphic functions defined by using the extended multiplier transformation operator. we use a strong convolution technique and derive inclusion results. a radius problem and some other interesting properties of these classes are discussed.

The thermo-optical properties of coated surface are important for spacecraft thermal control coatings which depend on the optical properties and structure of the coating material. These coatings control the temperature by their capability of outer energy absorption and its emission. The optical properties of pigment can be improved if the pigment contains a high fraction of voids in its structu...

In this study we investigate the effect of atoms such as B, N, Ge and Sn on the optical and the electrical properties of capped (5, 0) zigzag carbon nanotube, using DFT calculation method. These elements were attached to the one end of the carbon nanotube. We considered four different structure designs as possible candidates for a p-n junction device. The electrical properties of these structur...

In this study we investigate the effect of atoms such as B, N, Ge and Sn on the optical and the electrical properties of capped (5, 0) zigzag carbon nanotube, using DFT calculation method. These elements were attached to the one end of the carbon nanotube. We considered four different structure designs as possible candidates for a p-n junction device. The electrical properties of these structur...

In this study a numerical method is developed to solve the Hammerstein integral equations. To this end the kernel has been approximated using the leastsquares approximation schemes based on Legender-Bernstein basis. The Legender polynomials are orthogonal and these properties improve the accuracy of the approximations. Also the nonlinear unknown function has been approximated by using the Berns...