Title : Interaction with specific HSP90 residues as a scoring function: validation in the D3R Grand Challenge 2015.

Pub. Date : 2016 Sep

PMID : 27549813






2 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 Here is reported the development of a novel scoring function that performs remarkably well at identifying the native binding pose of a subset of HSP90 inhibitors containing aminopyrimidine or resorcinol based scaffolds. 2-aminopyrimidine heat shock protein 90 alpha family class A member 1 Homo sapiens
2 These results indicate that the specific residues considered by PocketScore are determinant to properly model the interaction between HSP90 and its subset of inhibitors containing aminopyrimidine or resorcinol based scaffolds. 2-aminopyrimidine heat shock protein 90 alpha family class A member 1 Homo sapiens