Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
6877638 | Journal of Molecular Graphics and Modelling | 2015 | 31 Pages |
Abstract
- Homology models of three natural variants of human glucokinase were made.
- A 10Â ns MD simulation was done on models to assess flexibility of the active site.
- Virtual screening was done to identify potential GK activators for the 3 variants.
- A frequency analysis was done to identify single and multiple variant binders.
- Analysis for presence of different scaffolds was done in identified molecules.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Pabitra Mohan Behera, Deepak Kumar Behera, Suresh Satpati, Geetanjali Agnihotri, Sanghamitra Nayak, Payodhar Padhi, Anshuman Dixit,