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CANDC
2006
ACM
13 years 9 months ago
Hydrophobic collapse in (in silico) protein folding
A model of hydrophobic collapse, which is treated as the driving force for protein folding, is presented. This model is the superposition of three models commonly used in protein ...
Michal Brylinski, Leszek Konieczny, Irena Roterman
JCC
2007
151views more  JCC 2007»
13 years 9 months ago
New parallel algorithm for MP2 energy gradient calculations
Abstract: A new parallel algorithm has been developed for calculating the analytic energy derivatives of full accuracy second order Møller-Plesset perturbation theory (MP2). Its m...
Kazuya Ishimura, Peter Pulay, Shigeru Nagase
EUSFLAT
2007
107views Fuzzy Logic» more  EUSFLAT 2007»
13 years 10 months ago
Extending the Choquet integral
In decision under uncertainty, the Choquet integral yields the expectation of a random variable with respect to a fuzzy measure (or non-additive probability or capacity). In gener...
Giovanni Rossi
BMCBI
2006
78views more  BMCBI 2006»
13 years 9 months ago
Subfamily logos: visualization of sequence deviations at alignment positions with high information content
Background: Recognition of relevant sequence deviations can be valuable for elucidating functional differences between protein subfamilies. Interesting residues at highly conserve...
Eric Beitz
BMCBI
2005
92views more  BMCBI 2005»
13 years 9 months ago
FIGENIX: Intelligent automation of genomic annotation: expertise integration in a new software platform
Background: Two of the main objectives of the genomic and post-genomic era are to structurally and functionally annotate genomes which consists of detecting genes' position a...
Philippe Gouret, Vérane Vitiello, Nathalie ...