Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules-Reference-Cited by-同舟云学术

Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules

Published:2012-06-22 Issue:7 Volume:8 Page:2435-2447
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Bakan Ahmet¹,Nevins Neysa²,Lakdawala Ami S.²,Bahar Ivet¹

Affiliation:

1. Department of Computational and Systems Biology and Clinical & Translational Science Institute, School of Medicine, University of Pittsburgh, 3064 BST3, 3501 Fifth Ave, Pittsburgh, Pennsylvania 15213, United States

2. GlaxoSmithKline, Computational and Structural Chemistry, 709 Swedeland Rd, King of Prussia, Pennsylvania 19406, United States

Funder

National Institutes of Health

Pennsylvania Department of Health

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300117j

Reference84 articles.

1. The druggable genome

2. Rediscovering the sweet spot in drug discovery

3. A practical view of ‘druggability’

4. Druggability Indices for Protein Targets Derived from NMR-Based Screening Data

5. An Experimental Approach to Mapping the Binding Surfaces of Crystalline Proteins

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