Theory of Drug Design

What are drugs?
The biochemistry of drugs

The challenge of drug design
The drug discovery pipeline
Use of computers in drug design

Difficulties implementing denovo design
Rebirth of computer-aided drug refinement


Rational Drug Design Software

Conformational searching in drug design

(Entire document in one file)

RACHEL Software Innovations

Extraction of Building Blocks from Corporate Databases
Intelligent Component Selection System

Development of a component specification language
User-directed structure generation
Filtration of components using constraints
Template driven structure generation

Novel techniques to estimate ligand - receptor binding
Automated Scoring Function Elucidation
Automated Target Function Elucidation

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