Protein–protein interactions have a key role in most biological processes, and offer attractive
opportunities for therapeutic intervention. Developing small molecules that modulate protein …

Since the early 1990s, several technological and scientific advances—such as
combinatorial chemistry, high-throughput screening and the sequencing of the human …

The Chemscore function was implemented as a scoring function for the protein–ligand
docking program GOLD, and its performance compared to the original Goldscore function …

Fragment-based lead discovery is gaining momentum in both large pharmaceutical
companies and biotechnology laboratories as a complementary approach to traditional …

Fragment-based drug discovery (FBDD) is well suited for discovering both drug leads and
chemical probes of protein function; it can cover broad swaths of chemical space and allows …

WaterLOGSY represents a powerful method for primary NMR screening in the identification
of compounds interacting with macromolecules, including proteins and DNA or RNA …

The pharmaceutical industry's ability to produce new medicines is directly tied to its success
in identifying druglike molecules that target clinically relevant pathways. As a consequence …

2008 NOMINEE The Council on Botanical and Horticultural Libraries Annual Award for a
Significant Work in Botanical or Horticultural Literature From medicinal, industrial, and …

Abstract Knowledge of the three-dimensional structures of protein targets now emerging
from genomic data has the potential to accelerate drug discovery greatly. X-ray …

A powerful screening by NMR methodology (WaterLOGSY), based on transfer of
magnetization from bulk water, for the identification of compounds that interact with target …