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Journal of Molecular Modeling|August 26, 2011
Molecular dynamics simulations of the Bcl-2 protein to predict the structure of its unordered flexible loop domainPawan Kumar Raghav, Yogesh Kumar Verma, Gurudutta U GangenahalliJournal of Molecular Modeling|October 4, 2011
DFT studies of COOH tip-functionalized zigzag and armchair single wall carbon nanotubesElżbieta Chełmecka, Karol Pasterny, Teobald Kupka, et al.Journal of Molecular Modeling|October 11, 2011
Molecular simulation of water removal from simple gases with zeolite NaAEva Csányi, Zoltán Ható, Tamás KristófJournal of Molecular Modeling|November 1, 2011
Ab initio and DFT study of luminescent cyclometalated N-heterocyclic carbene organogold(III) complexesBaozhu Yang, Qi Zhang, Jing Zhong, et al.Journal of Molecular Modeling|November 1, 2011
Metastable region of phase diagram: optimum parameter range for processing ultrahigh molecular weight polyethylene blendsJing-Gang Gai, Yuan ZuoJournal of Molecular Modeling|November 1, 2011
The importance of secondary structure in determining CO2-protein binding patternsMichael L Drummond, Angela K Wilson, Thomas R CundariJournal of Molecular Modeling|October 20, 2011
Aromatic character of heptafulvene and its complexes with halogen atomsTadeusz M Krygowski, Wojciech P Oziminski, Michał K CyrańskiJournal of Molecular Modeling|September 9, 2011
Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazoneRodolpho C Braga, Vinícius M Alves, Carlos A M Fraga, et al.Journal of Molecular Modeling|September 7, 2011
Molecular modeling of Trypanosoma cruzi glutamate cysteine ligase and investigation of its interactions with glutathioneCarlos F Lagos, Raul Araya-Secchi, Pablo Thomas, et al.Journal of Molecular Modeling|July 26, 2011
Understanding the desensitizing mechanism of olefin in explosives: shear slide of mixed HMX-olefin systemsChaoyang Zhang, Xia Cao, Bin XiangPageof 694