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Journal of Molecular Graphics & Modelling|July 10, 2013
The emerging role of cloud computing in molecular modellingJean-Paul Ebejer, Simone Fulle, Garrett M Morris, et al.Journal of Molecular Graphics & Modelling|December 11, 2012
Study of hydrophobic properties of biologically active open analogues of flavonoidsVeronika Opletalová, Petr Kastner, Marta Kučerová-Chlupáčová, et al.Journal of Molecular Graphics & Modelling|January 29, 2013
Structure-property relationships of energetic nitrogen-rich salts composed of triaminoguanidinium or ammonium cation and tetrazole-based anionsYuling Shao, Weihua Zhu, Heming XiaoJournal of Molecular Graphics & Modelling|January 29, 2013
Investigation of the influence of molecular topology on ligand bindingRurika Oka, Ola Engkvist, Hongming ChenJournal of Molecular Graphics & Modelling|January 29, 2013
Assessment of new anti-HER2 ligands using combined docking, QM/MM scoring and MD simulationMarawan Ahmed, Maiada M Sadek, Rabah A Serrya, et al.Journal of Molecular Graphics & Modelling|January 23, 2013
Elucidating the catalytic mechanism of β-secretase (BACE1): a quantum mechanics/molecular mechanics (QM/MM) approachArghya Barman, Rajeev PrabhakarJournal of Molecular Graphics & Modelling|January 23, 2013
Toward an understanding of the sequence and structural basis of allosteric proteinsXiaobai Li, Yingyi Chen, Shaoyong Lu, et al.Journal of Molecular Graphics & Modelling|December 26, 2012
Structural model of the Y-Family DNA polymerase V/RecA mutasomeSushil Chandani, Edward L LoechlerJournal of Molecular Graphics & Modelling|March 31, 2012
Molecular dynamics simulations of the coenzyme induced conformational changes of Mycobacterium tuberculosis L-alanine dehydrogenaseBaoping Ling, Min Sun, Siwei Bi, et al.Journal of Molecular Graphics & Modelling|March 8, 2013
Three- and four-body corrected fragment molecular orbital calculations with a novel subdividing fragmentation method applicable to structure-based drug designChiduru Watanabe, Kaori Fukuzawa, Yoshio Okiyama, et al.Pageof 408