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Mayo Clinic Technology
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Novel Method for Molecular Dynamics Simulations of Zinc Proteins

Reference #:

1999-020

Inventors/Contributors

Yuan-Ping Pang, Ph.D.

Description

A successful computational method was developed to perform molecular dynamics simulations of zinc's tetrahedral coordination and the exchanges of zinc ligands in proteins for studies of thermodynamic properties of zinc proteins in water including evaluation of binding free energies of zinc ligands. This method enables expeditious search of effective antiangiogenesis and antiproliferation drugs such as endostatin analogs and farnesyltransferase inhibitors for cancer treatments, and permits theoretical study of zinc-finger proteins as transcription factors and as mediators of protein-protein interactions and protein-nucleic acid interactions.

Patent Status

Pending

Contact

Nathan L. Stacy, Licensing Manager
stacy.nathan@mayo.edu

Mayo Foundation for Medical Education and Research
Office of Technology Commercialization
Centerplace 4
200 First Street SW
Rochester, MN 55905

Phone: (507) 538-1652
Fax: (507) 284-5410