Molecular Dynamics on Stapled Peptide - Computational Drug Design

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Computer Aided Drug Design

On the support side of the hub, Information Technology, Information Management, software applications, databases and computational resources all provide the infrastructure for bioinformatics. On the scientific side of the hub, bioinformatic methods are used extensively in molecular biology, genomics, proteomics, other emerging areas (i.e. metabolomics, transcriptomics) and in CADD research.
here are several key areas where bioinformatics supports CADD research.
Virtual High-Throughput Screening (vHTS).
Sequence Analysis.
Homology Modeling.
Similarity Searches
Drug Lead Optimization.
Physicochemical Modeling.
Drug Bioavailability and Bioactivity 

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Bioinformatics in Computer-Aided Drug Design

Computer-Aided Drug Design (CADD) is a specialized discipline that uses computational methods to simulate drug-receptor interactions. CADD methods are heavily dependent on bioinformatics tools, applications and databases. As such, there is considerable overlap in CADD research and bioinformatics.Bioinformatics can be thought of as a central hub that unites several disciplines and methodologies.

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