How Well Can Fragments Explore Accessed Chemical Space? A Case Study from Heat Shock Protein 90

2011 ◽  
Vol 54 (12) ◽  
pp. 3989-4005 ◽  
Author(s):  
Stephen D. Roughley ◽  
Roderick E. Hubbard
RSC Advances ◽  
2017 ◽  
Vol 7 (49) ◽  
pp. 31069-31074 ◽  
Author(s):  
A. Anighoro ◽  
L. Pinzi ◽  
G. Marverti ◽  
J. Bajorath ◽  
G. Rastelli

With the aid of computational design, we show that Hsp90 and B-Raf inhibitors have overlapping chemical space and we disclose the first-in-class dual inhibitors.


2001 ◽  
Vol 120 (5) ◽  
pp. A357-A357
Author(s):  
T YOH ◽  
T NAKASHIMA ◽  
Y SUMIDA ◽  
Y KAKISAKA ◽  
H ISHIKAWA ◽  
...  

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