aromatase inhibitors (ais) as effective candidates have been used in the treatment of hormone-dependent breast cancer. in this study, we have proposed 300 structures as potential ais and filtered them by lipinski’s rule of five using druglito software. subsequently, they were subjected to docking simulation studies to select the top 20 compounds based on their gibbs free energy changes and also...

Human crowds often bear a striking resemblance to interacting particle systems, and this has prompted many researchers to describe pedestrian dynamics in terms of interaction forces and potential energies. The correct quantitative form of this interaction, however, has remained an open question. Here, we introduce a novel statistical-mechanical approach to directly measure the interaction energ...

This review is concerned primarily with the correlation between the interfacial interactions and the constitutive properties of low-energy organic surfaces. It starts with a discussion on the estimation of the surface free energy of organic solids from contact angles, followed by a review of the surface energetics and adhesion. The experimental measurements of surface free energy, in most cases...

Energy efficiency has become one of the most important factors in the development of computer systems. As applications become more data centric and put more pressure on the memory subsystem, managing energy consumption of main memory is becoming critical. Therefore, it is critical to take advantage of all memory idle times by placing memory in low power modes even during the active process exec...

The three-dimensional structure of a protein is formed and maintained by the noncovalent interactions among the amino-acid residues of the polypeptide chain. These interactions can be represented collectively in the form of a network. So far, such networks have been investigated by considering the connections based on distances between the amino-acid residues. Here we present a method of constr...

The spatial view of the interaction region of colliding high energy protons (in terms of impact parameter) is considered. It is shown that the region of inelastic collisions has a very peculiar shape. It saturates for central collisions at an energy of 7 TeV. We speculate on the further evolution with energy, which is contrasted to the ”black disk” picture.

The dependence of the energies of axially symmetric monopoles of magnetic charges 2 and 3, on the Higgs self-interaction coupling constant, is studied numerically. Comparing the energy per unit topological charge of the charge-2 monopole with the energy of the spherically symmetric charge-1 monopole, we confirm that there is only a repulsive phase in the interaction energy between like monopoles

A new dark energy model, named as “agegraphic dark energy”, has been proposed by one of us (R. G. Cai) in arXiv:0707.4049, based on the Károlyházy uncertainty relation, which arises from the quantum mechanics together with general relativity. Then, in arXiv:0707.4052, it has been extended by including the interaction between the agegraphic dark energy and the pressureless (dark) matter. In this...

An ab initio potential for the interaction of the neutral helium atom with antiprotons and protons is calculated using the Born-Oppenheimer approximation. Using this potential, the annihilation cross section for antiprotons in the energy range 0.01 μeV to 1 eV is calculated.

Protein sequences are believed to have been selected to provide the stability of, and reliable renaturation to, an encoded unique spatial fold. In recently proposed theoretical schemes, this selection is modeled as “minimal frustration,” or “optimal energy” of the desirable target conformation over all possible sequences, such that the “design” of the sequence is governed by the interactions be...