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JCC
2002
88views more  JCC 2002»
13 years 11 months ago
Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory
: A new method for the characterization of molecules based on the model approach of molecular surfaces is presented. We use the topographical properties of the surface as well as t...
Thomas E. Exner, Matthias Keil, Jürgen Brickm...
JCC
2002
50views more  JCC 2002»
13 years 11 months ago
Dynamics of large proteins through hierarchical levels of coarse-grained structures
Pemra Doruker, Robert L. Jernigan, Ivet Bahar
JCC
2002
73views more  JCC 2002»
13 years 11 months ago
Linear scaling approaches to quantum macromolecular similarity: Evaluating the similarity function
: The evaluation of the electron density based similarity function scales quadratically with respect to the size of the molecules for simplified, atomic shell densities. Due to the...
Pere Constans
JCC
2002
49views more  JCC 2002»
13 years 11 months ago
Support vector machines for predicting HIV protease cleavage sites in protein
Yu-Dong Cai, Xiao-Jun Liu, Xue-biao Xu, Kuo-Chen C...
JCC
2002
54views more  JCC 2002»
13 years 11 months ago
Conformational analysis: A new approach by means of chemometrics
Aline Thaís Bruni, Vitor B. P. Leite, M&aac...
JCC
2002
96views more  JCC 2002»
13 years 11 months ago
Basis-set completeness profiles in two dimensions
Alexander A. Auer, Trygve Helgaker, Wim Klopper
JCC
2002
68views more  JCC 2002»
13 years 11 months ago
The elastic net algorithm and protein structure prediction
Keith D. Ball, Burak Erman, Ken A. Dill