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Physical geometric algorithms for structural molecular biology

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4 Author(s)
Bailey-Kellogg, C. ; Comput. Sci. Dept., Dartmouth Coll., Hanover, NH, USA ; Kelley, J.J., III ; Lilieu, R. ; Donald, B.R.

This paper surveys our recent work in three key areas, using a physical geometric algorithm approach to data interpretation, experiment planning, and drug design: 1) data-directed computational protocols for high-throughput protein structure determination; 2) an experiment planning and data interpretation algorithms for reducing mass degeneracy in mass spectrometry; and 3) computer-aided drug design tools and applying them to the design of an inhibitor for the core-binding factor-β on-coprotein (CBFβ-MYII11), a fusion protein involved in some forms of acute myclomonocytic leukemia. Our long-range goal is the structural and functional understanding of biopolymer interactions in systems of significant biochemical as well as pharmacological interest. The research overviewed here represents a set of important steps towards that goal.

Published in:

Robotics and Automation, 2001. Proceedings 2001 ICRA. IEEE International Conference on  (Volume:1 )

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