Title :
Subdivision Approach to Target-Constrained Conformational Searching
Author :
Zhang, Ming ; Wang, Liqun ; Maxwell, David
Author_Institution :
Dept. of Biostat. & Appl. Math., Texas Univ., Houston, TX
Abstract :
Conformational searching is common in many applications and algorithmic improvements on either speed or the quality would have a profound impact. In this paper, we address a target-constrained conformational searching problem and show two subdivision methods approximating the solutions rather than solving for the exact solutions. The performance of the methods is presented
Keywords :
biology computing; molecular biophysics; conformational searching; subdivision methods; Bonding; Cancer; Crystallography; Drugs; Equations; Mathematics; Nuclear magnetic resonance; Paramagnetic resonance; Predictive models; Proteins;
Conference_Titel :
Engineering in Medicine and Biology Society, 2005. IEEE-EMBS 2005. 27th Annual International Conference of the
Conference_Location :
Shanghai
Print_ISBN :
0-7803-8741-4
DOI :
10.1109/IEMBS.2005.1617003
