Articles
Año 8 No. 23 Mayo - Agosto 2022
MOLECULAR DOCKING. A BRIEF REVIEW OF RECENT ADVANCES IN CANCER
Abstract
Abstract
Molecular Docking is a methodology within the computational chemistry field that has undergone
a major expansion, since current experiment-associated problems, such as the high costs involved in the research
of new drugs, have raised the interest in computational methods that help to optimize these processes.
Although the cost reduction offered by computer-aided design is high, it should be considered that the more
complex the systems to be evaluated, the higher the cost and time consuming the corresponding calculations
to make an adequate prediction will increase, resulting in an inverse effect to the desired one. Fortunately,
as predicted by Moore’s law, the power of new processors doubles with respect to their predecessors every
few years, resulting in equipment with a capacity to perform more calculations in less time and new software
with fewer limitations to perform more complex tasks. This has also benefited the efficiency of molecular
docking tools, so that as computational power increases, the difficulty of evaluating larger and more complex
systems decreases. The objective of this paper is to provide a brief review of the theory, as well as the advances
made using this tool in cancer research.
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