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Journal of Computational Chemistry|December 30, 2003
Krylov subspace accelerated inexact Newton method for linear and nonlinear equationsRobert J HarrisonJournal of Computational Chemistry|December 30, 2003
Theoretical model of internal rotation in monosubstituted derivatives of furfuralRachel Crespo-Otero, Luis A Montero, Giselle Rosquete, et al.Journal of Computational Chemistry|March 11, 2004
Pattern recognition strategies for molecular surfaces: III. Binding site prediction with a neural networkMatthias Keil, Thomas E Exner, Jürgen BrickmannJournal of Computational Chemistry|March 11, 2004
Hydrogen bonding and solvent effects on the lowest 1(n, pi*) excitations of triazines in waterJun Zeng, Daiqian XieJournal of Computational Chemistry|March 11, 2004
A new hierarchical parallelization scheme: generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO)Dmitri G Fedorov, Ryan M Olson, Kazuo Kitaura, et al.Journal of Computational Chemistry|March 11, 2004
Modification of the Wiener index 4Feng Yang, Zhen-Dong Wang, Yun-Ping HuangJournal of Computational Chemistry|April 7, 2004
A semi-implicit solvent model for the simulation of peptides and proteinsNathalie Basdevant, Daniel Borgis, Tap Ha-DuongJournal of Computational Chemistry|September 20, 2005
Force field validation for nucleic acid simulations: comparing energies and dynamics of a DNA dodecamerShantenu Jha, Peter V Coveney, Charles A LaughtonJournal of Computational Chemistry|August 11, 2005
Electronic excitations of green fluorescent proteins: protonation states of chromophore model compound in solutionsDaiqian Xie, Jun ZengJournal of Computational Chemistry|September 22, 2005
Rotational superposition and least squares: the SVD and quaternions approaches yield identical results. Reply to the preceding comment by G. KnellerEvangelos A Coutsias, Chaok Seok, Ken A DillPageof 598