Introduction

The "Rigidity Optimized Conformational Kinetics" (ROCK) software package is currently under active development at the Protein Structural Analysis and Design Laboratory at Michigan State University.

ROCK is desiged to search for protein conformations in a random walk style, while concentrating on flexible regions of the protein only.

The algorithmic methods utilized in the development of ROCK are discussed in detail in the publications listed below.

• M. Lei, M.I. Zavodszky, L.A. Kuhn, M.F. Thorpe (2004) Sampling Protein Conformations and Pathways (pdf), J Comp Chem, 25(9):1133-48.
• M. Lei (2003) Modeling Non-Crystalline Networks, Ph.D. Thesis, Michigan State University
• S. C. K. Sukuru, T. Crepin, Y. Milev, L. C. Marsh, J. B. Hill, R. J. Anderson, J. C. Morris, A. Rohatgi, G. O'Mahony, M. Grotli, F. Danel, Y. Milev, M. G. P. Page, M. Hartlein, S. Cusack, M. A. Kron, and L. A. Kuhn (2006) Discovering New Classes of Brugia malayi Asparaginyl tRNA Synthetase Inhibitors and Relating Specificity to Conformational Change (pdf), J. Comp.-Aided Molec. Design 20, 159-178.

Please note, you will need Adobe Acrobat Reader to view the pdf files above. You can download a free copy of Acrobat Reader from here.

ROCK is not currently being distributed.

Contact Information

Dr. Leslie Kuhn
Protein Structural Analysis and Design Lab
502C, Biochemistry
Michigan State University
East Lansing, MI 48823

Tel: 517-355-3455
Fax: 517-353-9334
Email: kuhnlab@msu.edu