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3D QSAR pharmacophore model based on diverse IKKβ inhibitors

Nagarajan, S. et al.

Journal of molecular modeling. VOL 17; NUMBER 2, ; 2011, 209-218 -- Springer Science + Business Media -- 2011

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Insight into residues involved in the structure and function of the breast cancer associated protein human gamma synuclein

Manivel, P. et al.

Journal of molecular modeling. VOL 17; NUMBER 2, ; 2011, 251-263 -- Springer Science + Business Media -- 2011

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Modeling and analysis of the compatibility of polystyrene/poly(methyl methacrylate) blends with four inducing effects

Mu, D.; Li, J. Q.; Zhou, Y. H.

Journal of molecular modeling. VOL 17; NUMBER 3, ; 2011, 607-619 -- Springer Science + Business Media -- 2011

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DFT investigation on the reaction mechanism catalyzed by α-phosphomannomutase1 in protonated/deprotonated states

Chu, H. Y. et al.

Journal of molecular modeling. VOL 17; NUMBER 3, ; 2011, 577-585 -- Springer Science + Business Media -- 2011

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dockYard–a repository to assist modeling of protein-protein docking

Mitra, P.; Pal, D.

Journal of molecular modeling. VOL 17; NUMBER 3, ; 2011, 599-606 -- Springer Science + Business Media -- 2011

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Molecular modeling of lanthionine synthetase component C-like protein 2: a potential target for the discovery of novel type 2 diabetes prophylactics and therapeutics

Lu, P. et al.

Journal of molecular modeling. VOL 17; NUMBER 3, ; 2011, 543-553 -- Springer Science + Business Media -- 2011

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Structural and docking studies of Leucaena leucocephala Cinnamoyl CoA reductase

Prasad, N. K. et al.

Journal of molecular modeling. VOL 17; NUMBER 3, ; 2011, 533-541 -- Springer Science + Business Media -- 2011

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Computational simulations of structural role of the active-site W374C mutation of acetyl-coenzyme-A carboxylase: Multi-drug resistance mechanism

Zhu, X. L. et al.

Journal of molecular modeling. VOL 17; NUMBER 3, ; 2011, 495-503 -- Springer Science + Business Media -- 2011

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Erratum to: A UB3LYP and UMP2 theoretical investigation on unusual cation-Ï€ interaction between the triplet state HB=BH Formula Not Shown and H+, Li+, Na+, Be2+ or Mg2+

Ren, F. d. et al.

Journal of molecular modeling. VOL 17; NUMBER 5, ; 2011, 1223-1226 -- Springer Science + Business Media -- 2011

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Exploration of the origin of large first hyperpolarizabilities of trisaza-bridged (36) fulleroids

Jiang, L.; Gu, J.; Zhu, X.

Journal of molecular modeling. VOL 17; NUMBER 5, ; 2011, 1041-1049 -- Springer Science + Business Media -- 2011

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