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Journal of Computational Chemistry|October 24, 2008
2D depiction of nonbonding interactions for protein complexesPeng Zhou, Feifei Tian, Zhicai ShangJournal of Computational Chemistry|October 24, 2008
WebMTA: a web-interface for ab initio geometry optimization of large molecules using molecular tailoring approachRitwik Kavathekar, Subodh Khire, V Ganesh, et al.Journal of Computational Chemistry|October 24, 2008
Comparison of predicted native structures of Met-enkephalin based on various accessible-surface-area solvent modelsLixin Zhan, Jeff Z Y Chen, Wing-Ki LiuJournal of Computational Chemistry|October 24, 2008
Notes on quantitative structure-properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolutionRamon Carbó-Dorca, Ana Gallegos, Angel J SánchezJournal of Computational Chemistry|September 10, 2008
Dual-level direct dynamics studies for the reactions of OH radical with bromine-substituted ethanesLi Wang, Jing-yao Liu, Hong Gao, et al.Journal of Computational Chemistry|September 10, 2008
Role of the variable active site residues in the function of thioredoxin family oxidoreductasesAlexandra T P Carvalho, Pedro A Fernandes, Marcel Swart, et al.Journal of Computational Chemistry|July 14, 2005
A fast, scalable method for the parallel evaluation of distance-limited pairwise particle interactionsDavid E ShawJournal of Computational Chemistry|July 16, 2005
Are AM1 ligand-protein binding enthalpies good enough for use in the rational design of new drugs?R Villar, M J Gil, J I García, et al.Journal of Computational Chemistry|July 20, 2005
A molecular mechanics force field for biologically important sterolsZoe Cournia, Jeremy C Smith, G Matthias UllmannJournal of Computational Chemistry|September 20, 2005
Lattice models of peptide aggregation: evaluation of conformational search algorithmsMark T Oakley, Jonathan M Garibaldi, Jonathan D HirstPageof 598