It is known that Gram-negative bacteria (GNB) are the most frequent bacteria in hospital units. It is also known that GNBs generate a greater number of nosocomial infections in critical areas. In the present work, the adhesion of the bacterial cell wall (BCW) to the compounds of the material layers of a high efficiency filter (HEPA) was analyzed. The analysis was carried out by means of molecular simulation and quantum chemistry. The BCW and HEPA molecules were designed using Hyperchem software for simulation. The calculations of the quantum interactions of the molecules were carried out using the theory of the electron transfer coefficient (ETC). It obtained from 4 to 6 compounds that are more likely to interact even as a chemical reaction. The compounds of the glass fibers are the ones that work best for the adhesion and destruction of the BCW.