With the rapid development of computational techniques and hardware, more rigorous and precise theoretical models have been used to predict the binding affinities of a large number of small molecules to biomolecules. By employing continuum solvation models, the MM/GBSA and MM/PBSA methodologies achieve a good balance between low computational cost and reasonable prediction accuracy. In this stu...

gravitational search algorithm (gsa) is one of the newest swarm based optimization algorithms, which has been inspired by the newtonian laws of gravity and motion. gsa has empirically shown to be an efficient and robust stochastic search algorithm. since introducing gsa a convergence analysis of this algorithm has not yet been developed. this paper introduces the first attempt to a formal conve...

this article proposes a new algorithm for finding a good approximate set of non-dominated solutions for solving generalized traveling salesman problem. Random gravitational emulation search algorithm (RGES (is presented for solving traveling salesman problem. The algorithm based on random search concepts, and uses two parameters, speed and force of gravity in physics. The proposed algorithm is ...

in this study, we discuss the capacitated facility location-allocation problem with uncertain parameters in which the uncertainty is characterized by given finite numbers of scenarios. in this model, the objective function minimizes the total expected costs of transportation and opening facilities subject to the robustness constraint. to tackle the problem efficiently and effectively, an effici...

In molecular docking, it is challenging to develop a scoring function that is accurate to conduct high-throughput screenings. Most scoring functions implemented in popular docking software packages were developed with many approximations for computational efficiency, which sacrifices the accuracy of prediction. With advanced technology and powerful computational hardware nowadays, it is feasibl...

This article introduces two swarm intelligent algorithms, a group search optimizer (GSO) and an artificial fish swarm algorithm (AFSA). A single intelligent algorithm always has both merits in its specific formulation and deficiencies due to its inherent limitations. Therefore, we propose a mixture of these algorithms to create a new hybrid optimization algorithm known as the group search-artif...

in the science of operation research and decision theory, selection is the most important process. selection is a process that studies multiple qualitative and quantitative criteria, related to the science of management, which are mostly incompatible with each other. the multi criteria selection of a renewable energy portfolio is one of the main issues considered in multi criteria literature. i...