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BMCBI
2006
155views more  BMCBI 2006»
13 years 10 months ago
CAVER: a new tool to explore routes from protein clefts, pockets and cavities
Background: The main aim of this study was to develop and implement an algorithm for the rapid, accurate and automated identification of paths leading from buried protein clefts, ...
Martin Petrek, Michal Otyepka, Pavel Banás,...
BMCBI
2006
139views more  BMCBI 2006»
13 years 10 months ago
Improvement in accuracy of multiple sequence alignment using novel group-to-group sequence alignment algorithm with piecewise li
Background: Multiple sequence alignment (MSA) is a useful tool in bioinformatics. Although many MSA algorithms have been developed, there is still room for improvement in accuracy...
Shinsuke Yamada, Osamu Gotoh, Hayato Yamana
BMCBI
2007
102views more  BMCBI 2007»
13 years 10 months ago
Setting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms
Background: The number of algorithms available to predict ligand-protein interactions is large and ever-increasing. The number of test cases used to validate these methods is usua...
Luis A. Diago, Persy Morell, Longendri Aguilera, E...
SIAMJO
2002
133views more  SIAMJO 2002»
13 years 9 months ago
SNOPT: An SQP Algorithm for Large-Scale Constrained Optimization
Abstract. Sequential quadratic programming (SQP) methods have proved highly effective for solving constrained optimization problems with smooth nonlinear functions in the objective...
Philip E. Gill, Walter Murray, Michael A. Saunders
CASES
2004
ACM
14 years 3 months ago
Analytical computation of Ehrhart polynomials: enabling more compiler analyses and optimizations
Many optimization techniques, including several targeted specifically at embedded systems, depend on the ability to calculate the number of elements that satisfy certain conditio...
Sven Verdoolaege, Rachid Seghir, Kristof Beyls, Vi...