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Journal of Computational Chemistry|April 21, 2005
An unbiased population-based search for the geometry optimization of Lennard-Jones clusters: 2 < or = N < or = 372Wayne PullanJournal of Computational Chemistry|April 9, 2005
Zori 1.0: a parallel quantum Monte Carlo electronic structure packageAlán Aspuru-Guzik, Romelia Salomón-Ferrer, Brian Austin, et al.Journal of Computational Chemistry|October 8, 2005
Integrated Modeling Program, Applied Chemical Theory (IMPACT)Jay L Banks, Hege S Beard, Yixiang Cao, et al.Journal of Computational Chemistry|October 8, 2005
The GROMOS software for biomolecular simulation: GROMOS05Markus Christen, Philippe H Hünenberger, Dirk Bakowies, et al.Journal of Computational Chemistry|December 16, 2004
Electronic structure and stability of AlnPn (n = 2-4) clustersYuhui Qu, Xiufang BianJournal of Computational Chemistry|December 23, 2004
Method for computing protein binding affinityCharles F F Karney, Jason E Ferrara, Stephan BrunnerJournal of Computational Chemistry|February 24, 2005
Fitting complex potential energy surfaces to simple model potentials: application of the simplex-annealing methodRaúl A Bustos Marún, Eduardo A Coronado, Juan C FerreroJournal of Computational Chemistry|November 13, 2004
An efficient molecular docking using conformational space annealingKyoungrim Lee, Cezary Czaplewski, Seung-Yeon Kim, et al.Journal of Computational Chemistry|March 7, 2006
SG-0: a small standard grid for DFT quadrature on large systemsSiu-Hung Chien, Peter M W GillJournal of Computational Chemistry|February 4, 2006
Modified calculations of hydrocarbon thermodynamic propertiesMin Hsien Liu, Cheng ChenPageof 598