Binding-site assessment by virtual fragment screening.
The accurate prediction of protein druggability (propensity to bind high-affinity drug-like small molecules) would greatly benefit the fields of chemical genomics and drug discovery. We have developed a novel approach to quantitatively assess protein druggability by computationally screening a fragm...
Saved in:
| Main Authors: | Niu Huang, Matthew P Jacobson |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Public Library of Science (PLoS)
2010-04-01
|
| Series: | PLoS ONE |
| Online Access: | https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0010109&type=printable |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Fragment-based screening maps inhibitor interactions in the ATP-binding site of checkpoint kinase 2.
by: M Cris Silva-Santisteban, et al.
Published: (2013-01-01) -
Virtual fragment screening for DNA repair inhibitors in vast chemical space
by: Andreas Luttens, et al.
Published: (2025-02-01) -
Ligand-Based Virtual Screening Using Bayesian Inference Network and Reweighted Fragments
by: Ali Ahmed, et al.
Published: (2012-01-01) -
Knowledge-based fragment binding prediction.
by: Grace W Tang, et al.
Published: (2014-04-01) -
A structure-based model for predicting serum albumin binding.
by: Katrina W Lexa, et al.
Published: (2014-01-01)