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

Scanners
Builders
Conformational searching in drug design
Hybrids

(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

(c) 2003 Drug Design Methodologies, LLC.  All Rights Reserved