Joseph M. Hayes

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David A Morton-Blake1
Demetres D. Leonidas1
Anastassia L. Kantsadi1
1David A Morton-Blake
1Demetres D. Leonidas
1Anastassia L. Kantsadi
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Glycogen phosphorylase (GP) (EC is an important therapeutic target for the potential treatment of type 2 diabetes. The search for potent, selective and drug-like GP inhibitors which may eventually lead to hypoglycaemic agents has to date uncovered a number of natural product inhibitors with both pharmaceutical and nutraceutical potential. GP is an(More)
The use of Buckingham (exp-6) van der Waals potentials in molecular dynamics (MD) simulations can quite successfully reproduce experimental thermodynamic data at low densities. However, they are less successful in producing a description of the repulsive regions of the potential energy surface (PES) that is in accord with the results of high-level ab initio(More)
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