نتایج جستجو برای: based search algorithm gbsa
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A charged system search algorithm (CSS) is applied to the optimal cost design of water distribution networks. This algorithm is inspired by the Coulomb and Gauss’s laws of electrostatics in physics. The CSS utilizes a number of charged particles which influence each other based on their fitness values and their separation distances considering the governing law of Coulomb. The well-known benchm...
Conformational entropy calculation, usually computed by normal mode analysis (NMA), is a time-consuming step in MM-PB/GBSA calculations. Here, instead of NMA, a solvent accessible surface area (SAS) based model was employed to compute the conformational entropy. A new fast GPU-based method called MURCIA (Molecular Unburied Rapid Calculation of Individual Areas) was used instead of the tradition...
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