In Silico Modeling of Spider Toxins: Bioinformatics, Molecular Docking, and Molecular Dynamics

Abstract

The expression in silico, which means performed on computer or via computer simulation, has been seen with increasing frequency, in almost every area of knowledge, in scientific papers published in the last few years. This is particularly true with regard to biochemistry; it is quite hard to imagine any area in which in silico analysis has not been employed, isolated or hand-in-hand with experimental analysis, to predict the structure and/or energetic behavior, in such a way that it furnishes a relatively detailed vision of the behavior of specific molecules in biochemical systems.