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Journal of Computational Chemistry|October 19, 2013
GALAMOST: GPU-accelerated large-scale molecular simulation toolkitYou-Liang Zhu, Hong Liu, Zhan-Wei Li, et al.Journal of Computational Chemistry|October 12, 2013
Modeling disordered morphologies in organic semiconductorsTobias Neumann, Denis Danilov, Christian Lennartz, et al.Journal of Computational Chemistry|May 10, 2012
Comment on "A minimal implementation of the AMBER-GAUSSIAN interface for ab initio QM/MM-MD simulation"Benjamin P Roberts, Gustavo M Seabra, Adrian E Roitberg, et al.Journal of Computational Chemistry|June 8, 2012
Highly efficient and exact method for parallelization of grid-based algorithms and its implementation in DelPhiChuan Li, Lin Li, Jie Zhang, et al.Journal of Computational Chemistry|May 9, 2012
Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole modelHyun Woo Kim, Young Min RheeJournal of Computational Chemistry|August 25, 2016
Reaction rates in a theory of mechanochemical pathwaysWolfgang Quapp, Josep Maria BofillJournal of Computational Chemistry|March 12, 2010
A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizabilityAsbjørn Holt, Jonas Boström, Gunnar Karlström, et al.Journal of Computational Chemistry|April 2, 2002
Application of the frozen atom approximation to the GB/SA continuum model for solvation free energyOlgun Guvench, Jörg Weiser, Peter Shenkin, et al.Journal of Computational Chemistry|April 2, 2002
Ab initio prediction of helical segments in polypeptidesJ L Klepeis, C A FloudasJournal of Computational Chemistry|April 2, 2002
Support Vector Machines for predicting HIV protease cleavage sites in proteinYu-Dong Cai, Xiao-Jun Liu, Xue-Biao Xu, et al.Pageof 598