Absent in animals and with only seven enzymatic reactions toward the synthesis of
chorismate and aromatic amino acids, the shikimate pathway is a crucial target for …

The aromatic compounds such as aromatic amino acids, vitamin K and ubiquinone are
important prerequisites for the metabolism of an organism. All organisms can synthesize …

Since the determination of the Mycobacterium tuberculosis genome sequence, various
groups have used the genomic information to identify and validate targets as the basis for …

Fast and reliable evaluation of the hydrogen bond potential energy has a significant impact
in the drug design and development since it allows the assessment of large databases of …

Roughly a third of the world's population is estimated to have latent Mycobacterium
tuberculosis infection, being at risk of develo** active tuberculosis (TB) during their …

Molecular docking is a simulation process where the binding of a small molecule is
identified in the structure of a protein target. There are several different computational …

Homology modeling is a computational approach to generate three-dimensional structures
of protein targets when experimental data about similar proteins are available. Although …

Nature as a source of inspiration has been shown to have a great beneficial impact on the
development of new computational methodologies. In this scenario, analyses of the …

The aetiological agent of tuberculosis (TB), Mycobacterium tuberculosis, is responsible for
millions of deaths annually. The increasing prevalence of the disease, the emergence of …

Application of molecular dynamics simulation technique has become a conventional
computational methodology to calculate significant processes at the molecular level. This …