ABSTRACT

Virtual screening can reduce costs and increase hit rates for lead discovery by eliminating the need for robotics, reagent acquisition or production, and compound storage facilities. The increased robustness of computational algorithms and scoring functions, the availability of affordable computational power, and the potential for timely structural

chapter 1|22 pages

Virtual Screening: Scope and Limitations

chapter 4|18 pages

Compound Selection for Virtual Screening

chapter 12|24 pages

A Practical Guide to DOCK 5

chapter 14|30 pages

Fragment-Based High Throughput Docking