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Journal of Computational Chemistry|October 8, 2003
Reassessment of methyl rotation barriers and conformations by correlated quantum chemistry methodsAlberto Del Rio, Abdou Boucekkine, Jean MeinnelJournal of Computational Chemistry|February 24, 2004
Systematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: diffusion, free energy of hydration, and structural propertiesMichael Patra, Mikko KarttunenJournal of Computational Chemistry|February 24, 2004
Accurate and fast algorithm of the molecular incomplete gamma function with a complex argumentKazuhiro IshidaJournal of Computational Chemistry|February 24, 2004
Neural network-based prediction of transmembrane beta-strand segments in outer membrane proteinsM Michael Gromiha, Shandar Ahmad, Makiko SuwaJournal of Computational Chemistry|February 24, 2004
TDDFT investigation on nucleic acid bases: comparison with experiments and standard approachM K Shukla, Jerzy LeszczynskiJournal of Computational Chemistry|March 18, 2004
The arsenic clusters Asn (n = 1-5) and their anions: structures, thermochemistry, and electron affinitiesYi Zhao, Wenguo Xu, Qianshu Li, et al.Journal of Computational Chemistry|March 18, 2004
Geometric algorithms for the conformational analysis of long protein loopsJ Cortés, T Siméon, M Remaud-Siméon, et al.Journal of Computational Chemistry|January 22, 2004
A practical valence bond method: a configuration interaction method approach with perturbation theoretic facilityLingchun Song, Wei Wu, Qianer Zhang, et al.Journal of Computational Chemistry|January 22, 2004
AGBNP: an analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modelingEmilio Gallicchio, Ronald M LevyJournal of Computational Chemistry|January 22, 2004
Accurate and efficient generalized born model based on solvent accessibility: derivation and application for LogP octanol/water prediction and flexible peptide dockingMaxim TotrovPageof 598