Computer-aided Drug Design
History of Computer-aided Drug Design
2000's - Vast information handling - pharmacogenomics
1990's - Fast computers -genome assembly - genomic based target selection
1980's - Automation - high throughput target/drug selection and the databases (information technology) - combinatorial libraies
1980's - Fast computers - docking
1960's - Viz -review the target-drug interaction
The major goal of the CADD Center is to discover novel chemical entities with the potential to be developed into novel therapeutic agents.
2000's - Vast information handling - pharmacogenomics
1990's - Fast computers -genome assembly - genomic based target selection
1980's - Automation - high throughput target/drug selection and the databases (information technology) - combinatorial libraies
1980's - Fast computers - docking
1960's - Viz -review the target-drug interaction
The major goal of the CADD Center is to discover novel chemical entities with the potential to be developed into novel therapeutic agents.
Molecular Modeling
Softwares: Modeller, SwissProt, Discovery Studio
Softwares: Modeller, SwissProt, Discovery Studio
Density Functional Theory
Softwares: Gaussian, GAMESS
Softwares: Gaussian, GAMESS
X-ray Crystallograpy