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Journal of Computational Chemistry|January 28, 2003
beta-Hairpins, alpha-helices, and the intermediates among the secondary structures in the energy landscape of a peptide from a distal beta-hairpin of SH3 domainKazuyoshi Ikeda, Oxana V Galzitskaya, Haruki Nakamura, et al.Journal of Computational Chemistry|January 28, 2003
Molecular mechanics (MM3) calculations on lithium amide compoundsTakashi Yoshida, Kazuhisa Sakakibara, Masatoshi Asami, et al.Journal of Computational Chemistry|January 28, 2003
A practical and efficient method to calculate AIM localization and delocalization indices at post-HF levels of theoryYi-Gui Wang, Nick Henry WerstiukJournal of Computational Chemistry|January 28, 2003
Extended method for adiabatic mode reorderingChristofer S Tautermann, Andreas F Voegele, Thomas Loerting, et al.Journal of Computational Chemistry|December 24, 2002
Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compressionAlexander V Mitin, Jon Baker, Krzysztof Wolinski, et al.Journal of Computational Chemistry|December 24, 2002
Prediction of beta-sheet topology and disulfide bridges in polypeptidesJ L Klepeis, C A FloudasJournal of Computational Chemistry|December 24, 2002
Computational study of epoxy-amine reactionsSatoshi Okumoto, Shinichi YamabeJournal of Computational Chemistry|December 24, 2002
ICFF: a new method to incorporate implicit flexibility into an internal coordinate force fieldVsevolod Katritch, Maxim Totrov, Ruben AbagyanJournal of Computational Chemistry|April 15, 2003
Theoretical study of the interaction between a high-valent manganese porphyrin oxyl-(hydroxo)-Mn(IV)-TMPyP and double-stranded DNAPhilippe Arnaud, Krystyna Zakrzewska, Bernard MeunierJournal of Computational Chemistry|April 15, 2003
Novel topological index for research on structure-property relationships of complex organic compoundsYu-Ren Jiang, Jing-Ya Liu, Yue-Hua Hu, et al.Pageof 598