Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques

433 citations recorded by the source corpus.

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

Molecular dynamics simulations and drug discovery (2011, methodology): “Multiple protein conformations were extracted from these simulations, and the protein surface was computationally ‘flooded’ with small organic probes using FTMAP [44] to identify potential binding sites.”
The FTMap family of web servers for determining and characterizing ligand binding hot spots of proteins (2015, methodology): “Hot spots help investigators identify the important subsites, determine their druggability 18,19,28 and select an appropriate fragment library; once fragment hits are identified they can be used in optimally extending such fragment hits into higher-affinity ligands 29 .”
Analysis of protein binding sites by computational solvent mapping (2012, methodology): “, regions on the protein where clusters of different probes overlap, and rank these sites in terms of the number of overlapping probe clusters (10).”
Challenges and advances in computational docking: 2009 in review (2011, methodology): “It has been tested on DJ-1 and GCase, implicated in Parkinson’s and Gaucher’s diseases, respectively (111), and renin, a long-standing pharmaceutical target for the treatment of hypertension (112).”