Thread: NMR paper NMR-Assisted Molecular Docking Methodologies.
View Single Post
  #1  
Unread 08-05-2016, 12:26 PM
nmrlearner's Avatar
nmrlearner nmrlearner is offline
Senior Member
  
Join Date: Jan 2005
Posts: 23,178
Points: 193,617, Level: 100
Points: 193,617, Level: 100 Points: 193,617, Level: 100 Points: 193,617, Level: 100
Level up: 0%, 0 Points needed
Level up: 0% Level up: 0% Level up: 0%
Activity: 50.7%
Activity: 50.7% Activity: 50.7% Activity: 50.7%
Last Achievements
Award-Showcase
NMR Credits: 0
NMR Points: 0
Downloads: 0
Uploads: 0
Default NMR-Assisted Molecular Docking Methodologies.
NMR-Assisted Molecular Docking Methodologies.

Related Articles NMR-Assisted Molecular Docking Methodologies.

Mol Inform. 2015 Aug;34(8):513-525

Authors: Sturlese M, Bellanda M, Moro S

Abstract
Nuclear magnetic resonance (NMR) spectroscopy and molecular docking are regularly being employed as helpful tools of drug discovery research. Molecular docking is an extremely rapid method to evaluate possible binders from a large chemical library in a fast and cheap manner. NMR techniques can directly detect a protein-ligand interaction, can determine the corresponding association constant, and can consistently identify the ligand binding cavity. Consequently, molecular docking and NMR techniques are naturally complementary techniques where the combination of the two has the potential to improve the overall efficiency of drug discovery process. In this review, we would like to summarize the state of the art of docking methods which have been recently bridged to NMR experiments to identify novel and effective therapeutic drug candidates.


PMID: 27490497 [PubMed - as supplied by publisher]



More...
Reply With Quote

Did you find this post helpful? Yes | No