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Journal of Computational Chemistry|July 13, 2010
A large decoy set of protein-protein complexes produced by flexible dockingGuillaume Launay, Thomas SimonsonJournal of Computational Chemistry|July 13, 2010
Accurate estimation of solvation free energy using polynomial fitting techniquesConrad Shyu, F Marty YtrebergJournal of Computational Chemistry|October 7, 2010
Rapid estimation of activation enthalpies for cytochrome-P450-mediated hydroxylationsArthur N Mayeno, Jonathan L Robinson, Brad ReisfeldJournal of Computational Chemistry|October 16, 2010
Structure and dynamics of methanol in water: a quantum mechanical charge field molecular dynamics studySyed Tarique Moin, Thomas S Hofer, Bernhard R Randolf, et al.Journal of Computational Chemistry|October 16, 2010
A novel predictive model for formation enthalpies of Si and Ge hydrides with propane- and butane-like structuresC Weng, J Kouvetakis, A V G ChizmeshyaJournal of Computational Chemistry|September 17, 2010
MIBPB: a software package for electrostatic analysisDuan Chen, Zhan Chen, Changjun Chen, et al.Journal of Computational Chemistry|October 5, 2010
Similarity analysis of DNA sequences based on the weighted pseudo-entropyChun Li, Hong Ma, Yang Zhou, et al.Journal of Computational Chemistry|July 24, 2010
A CAS study on S-loss and O-loss dissociation mechanisms of the SO(2) (+) ion in the C, D, and E statesQingyong Meng, Ming-Bao HuangJournal of Computational Chemistry|July 24, 2010
Heisenberg behavior of some carbon-beryllium compounds: How well truncated-CI approaches workCarmen J Calzado, A Monari, S EvangelistiJournal of Computational Chemistry|July 24, 2010
Density functional theory study of the oxidation of methanol to formaldehyde on a hydrated vanadia clusterP González-Navarrete, L Gracia, M Calatayud, et al.Pageof 593