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JCB
2007
144views more  JCB 2007»
13 years 10 months ago
Statistical Estimation of Statistical Mechanical Models: Helix-Coil Theory and Peptide Helicity Prediction
Analysis of biopolymer sequences and structures generally adopts one of two approaches: use of detailed biophysical theoretical models of the system with experimentally-determined...
Scott C. Schmidler, Joseph E. Lucas, Terrence G. O...
JCC
1998
71views more  JCC 1998»
13 years 10 months ago
Docking small ligands in flexible binding sites
: A novel procedure for docking ligands in a flexible binding site is presented. It relies on conjugate gradient minimization, during which nonbonded interactions are gradually swi...
Joannis Apostolakis, Andreas Plückthun, Amede...
BMCBI
2008
201views more  BMCBI 2008»
13 years 11 months ago
A copula method for modeling directional dependence of genes
Background: Genes interact with each other as basic building blocks of life, forming a complicated network. The relationship between groups of genes with different functions can b...
Jong-Min Kim, Yoon-Sung Jung, Engin A. Sungur, Kap...
BMCBI
2007
99views more  BMCBI 2007»
13 years 11 months ago
The Deuterator: software for the determination of backbone amide deuterium levels from H/D exchange MS data
Background: The combination of mass spectrometry and solution phase amide hydrogen/deuterium exchange (H/D exchange) experiments is an effective method for characterizing protein ...
B. D. Pascal, M. J. Chalmers, S. A. Busby, C. C. M...
BMCBI
2004
120views more  BMCBI 2004»
13 years 10 months ago
pdb-care (PDB CArbohydrate REsidue check): a program to support annotation of complex carbohydrate structures in PDB files
Background: Carbohydrates are involved in a variety of fundamental biological processes and pathological situations. They therefore have a large pharmaceutical and diagnostic pote...
Thomas Lütteke, Claus-Wilhelm von der Lieth