Molecular docking has become an important component of the drug discovery process.
Since first being developed in the 1980s, advancements in the power of computer hardware …

Tetrazole derivatives are a prime class of heterocycles, very important to medicinal
chemistry and drug design due to not only their bioisosterism to carboxylic acid and amide …

FTMap is a computational map** server that identifies binding hot spots of
macromolecules—ie, regions of the surface with major contributions to the ligand-binding …

Fragment-based approaches to finding novel small molecules that bind to proteins are now
firmly established in drug discovery and chemical biology. Initially developed primarily in a …

Despite the increase in global biology and chemistry knowledge the discovery of effective
and safe new drugs seems to become harder rather than easier. Some of this challenge is …

The field of fragment-based drug discovery (FBDDa) has developed significantly over the
past 10 years and is now recognized as a tangible alternative to more traditional methods of …

Protein− ligand interaction fingerprints have been used to postprocess docking poses of
three ligand data sets: a set of 40 low-molecular-weight compounds from the Protein Data …

Fragment-based drug discovery is a strategy widely used in both academia and
pharmaceutical companies to generate small-molecule protein inhibitors and drug …

Fragment-based drug discovery (FBDD) has become established in both industry and
academia as an alternative approach to high-throughput screening for the generation of …

Fragment based drug design has emerged as an effective alternative to high throughput
screening for the identification of lead compounds in drug discovery in the past fifteen years …