In this perspective, we begin by describing the comparative protein structure modeling
technique and the accuracy of the corresponding models. We then discuss the significant …

The current chapter introduces different aspects of molecular docking technique in order to
give an overview to the readers about the topics which will be dealt with throughout this …

Computational methods provide important contributions to modern drug discovery projects.
In this thesis, we discuss the insights into protein-ligand interactions afforded by methods …

Protein structure prediction techniques proceed in two steps, namely the generation of many
structural models for the protein of interest, followed by an evaluation of all these models to …

El cáncer es una de las principales causas de muerte a nivel mundial, para contrarrestar la
mortalidad por esta enfermedad se utilizan diferentes tipos de terapias, siendo la …

Protein kinases regulate various cell signaling events in a diverse range of species through
phosphorylation. The phosphorylation occurs upon transferring the terminal phosphate of an …

In der vorliegenden Arbeit wurden unterschiedliche Methoden des computergestützten
strukturbasierten Wirkstoffdesigns in verschiedenen Projekten zur Anwendung gebracht.//Es …

Abstract Structure‐based drug design (SBDD) is the backbone of modern pharmaceutical
research and development. Its origins date back to the 1950s and 1960s when the first X‐ray …

Aims: To investigate the potential to degrade polycyclic aromatic hydrocarbons (PAHs) of yet-
to-be cultured bacterial populations from chronically-polluted intertidal sediments. Methods …