Citations in CAS SciFinder to the rule-of-five (RO5) publication will exceed 1000 by year-end
2004. Trends in the RO5 literature explosion that can be discerned are the further definitions …

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

During the 50 years of NMR, the technology has renewed itself again and again although
the basic physical principles remain the same. As technical advances and novel materials …

In the past decade, the potential of harnessing the ability of nuclear magnetic resonance
(NMR) spectroscopy to monitor intermolecular interactions as a tool for drug discovery has …

Since the first report appeared in 19961 describing the use of NMR spectroscopy to screen
for potential drug molecules, the field of NMR-based screening has evolved rapidly. Over the …

Competition ligand-based NMR screening experiments have recently been introduced to
overcome most of the problems associated with traditional ligand-based NMR screening …

We present an improved version of the program LEA developed to design organic
molecules. Rational drug design involves finding solutions to large combinatorial problems …

In the field of drug discovery, some classes of proteins have been deemed undruggable.
This typically means that no small molecule (≤ 800 Da) has been found that is capable of …

Fragment-based and de novo design strategies have been used in drug discovery for years.
The methodologies for these strategies are typically discussed separately, yet the …

In recent years the ever so complex field of drug discovery has embraced novel design
strategies based on biophysical fragment screening (fragment-based drug design; FBDD) …