Related Experiment Video
Updated: Jul 10, 2026

Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
Published on: July 8, 2025
Drug discovery and computational evolutionary analysis
Joanna D Holbrook1, Philippe Sanseau
1GlaxoSmithKline, Molecular Discovery Research, Bioinformatics Analysis, Stevenage SG1 2NY, United Kingdom.
Abstract:
Drug discovery remains a difficult business with a very high level of attrition. Many steps in this long process use data generated from various species. One key challenge is to successfully translate the pre-clinical findings of target validation and safety studies in animal models to diverse human beings in the clinic. Advanced computational evolutionary analysis techniques combined with the increasing availability of sequence information enable the application of systematic evolutionary approaches to targets and pathways of interest to drug discovery. These analyses have the potential to increase our understanding of experimental differences observed between species.
Related Concept Videos
Drug Discovery: Overview
Evolutionary Relationships through Genome Comparisons
Pharmacogenomics: Identification of New Drug Targets
Structure-Activity Relationships and Drug Design
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...
Genetic Screens
Forward genetic screens
Forward or “classical” genetic screens involve creating random mutations in an organism’s DNA using radiation, mutagens, or insertion of additional bases, which result in visible changes...
