A Practical Guide to Rational Drug Design

Informationen zum Autor Dr. Sun received his BSc degree in chemistry and PhD degree in physics from University of Science and Technology of China (USTC). He was awarded his second PhD degree in medicinal and computational chemistry by Clark University and UMass Med School in 1997. Dr. Sun joined the faculty of Washington University Medical School at St. Louis in 1998. One and half years later, he became a computational scientist at Roche, where he spent over ten years to support dozens of rational drug design projects in such therapeutic areas as oncology, diabetes, obesity, virology, cardiovascular disease, etc. He is a well-recognized scholar in the field of drug discovery and ADMET predictions. His QSAR model ranked the first place in the Solubility Challenge. Dr. Sun and his colleagues also delivered the most accurate model in the GPCR homology modeling contest. Dr. Sun has published over 20 first and/or corresponding author peer-reviewed research papers, including 8 invited review articles covering different aspects of drug discovery. Dr. Sun was listed as Honorable Editor of three premium journals in the field of drug discovery and chemoinformatics.

Autorentext
Dr. Sun received his BSc degree in chemistry and PhD degree in physics from University of Science and Technology of China (USTC). He was awarded his second PhD degree in medicinal and computational chemistry by Clark University and UMass Med School in 1997. Dr. Sun joined the faculty of Washington University Medical School at St. Louis in 1998. One and half years later, he became a computational scientist at Roche, where he spent over ten years to support dozens of rational drug design projects in such therapeutic areas as oncology, diabetes, obesity, virology, cardiovascular disease, etc. He is a well-recognized scholar in the field of drug discovery and ADMET predictions. His QSAR model ranked the first place in the Solubility Challenge. Dr. Sun and his colleagues also delivered the most accurate model in the GPCR homology modeling contest. Dr. Sun has published over 20 first and/or corresponding author peer-reviewed research papers, including 8 invited review articles covering different aspects of drug discovery. Dr. Sun was listed as Honorable Editor of three premium journals in the field of drug discovery and chemoinformatics.

Inhalt

PART I Rational Drug Design
1. Structure of the target is available

2. Structure of the target is unavailable
3. Virtual screening (VS)
   
   PART II Chemoinformatics
   1. QSAR modeling
4. Processing HTS results
5. Delivering modeling results