Source: Journal of Macromolecular Science: Physics. Dec2012, Vol. 51 Issue 12, p2311-2323. 13p. 1 Black and White Photograph, 4 Diagrams, 2 Charts, 3 Graphs.

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Academic Journal

The Evolution of HLA-B*3501 Binding Affinity to Variable Immunodominant NP418-426 Peptides from 1918 to 2009 Pandemic Influenza A Virus: A Molecular Dynamics Simulation and Free Energy Calculation Study.

Authors : Guo, Jingjing¹; Wang, Xiaoting¹; Sun, Huijun¹

Source: Chemical Biology & Drug Design. Jun2012, Vol. 79 Issue 6, p1025-1032. 8p. 2 Diagrams, 3 Charts, 6 Graphs.

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Structure Prediction, Molecular Dynamics Simulation and Docking Studies of D-Specific Dehalogenase from Rhizobium sp. RC1.

Authors : Sudi, Ismaila Yada¹ ; Ee Lin Wong¹ ; Kwee Hong Joyce-Tan²

Source: International Journal of Molecular Sciences. Dec2012, Vol. 13 Issue 12, p15724-15754. 32p. 17 Diagrams, 3 Charts, 5 Graphs.

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Ab initio molecular dynamics simulation of binary NiNb bulk metallic glass: validation of the cluster-plus-glue-atom model.

Authors : Tian, Hua; Liu, Hong¹; Zhang, Chong

Source: Journal of Materials Science. Nov2012, Vol. 47 Issue 21, p7628-7634. 7p. 2 Charts, 5 Graphs.

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Intrinsic Electric Fields in Ionic Liquids Determined by Vibrational Stark Effect Spectroscopy and Molecular Dynamics Simulation.

Authors : Zhang, Shiguo¹; Shi, Rui²; Ma, Xiangyuan¹

Source: Chemistry - A European Journal. Sep2012, Vol. 18 Issue 38, p11904-11908. 5p.

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Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals.

Authors : Bhuiyan, G. M.¹; González, L. E.²; González, D. J.²

Source: Condensed Matter Physics. 2012, Vol. 15 Issue 3, p1-19. 19p.

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Investigation of the characteristics of heat current in a nanofluid based on molecular dynamics simulation.

Authors : Jia, Tao¹; Zhang, Yuwen¹ ; Ma, H.¹

Source: Applied Physics A: Materials Science & Processing. Sep2012, Vol. 108 Issue 3, p537-544. 8p. 9 Graphs.

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An improved structural characterisation of reduced French bean plastocyanin based on NMR data and local-elevation molecular dynamics simulation.

Authors : Steiner, Denise¹; Gunsteren, Wilfred¹

Source: European Biophysics Journal. Jul2012, Vol. 41 Issue 7, p579-595. 17p. 2 Diagrams, 19 Graphs.

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نتائج البحث

فلترة النتائج

Statistical Estimation of the Protein-Ligand Binding Free Energy Based On Direct Protein-Ligand Interaction Obtained by Molecular Dynamics Simulation.

Molecular Dynamics Simulation of Palmitate Ester Self-Assembly with Diclofenac.

The Interaction of Polyphenol Flavonoids with β-lactoglobulin: Molecular Docking and Molecular Dynamics Simulation Studies.

The Evolution of HLA-B*3501 Binding Affinity to Variable Immunodominant NP418-426 Peptides from 1918 to 2009 Pandemic Influenza A Virus: A Molecular Dynamics Simulation and Free Energy Calculation Study.

Structure Prediction, Molecular Dynamics Simulation and Docking Studies of D-Specific Dehalogenase from Rhizobium sp. RC1.

Ab initio molecular dynamics simulation of binary NiNb bulk metallic glass: validation of the cluster-plus-glue-atom model.

Intrinsic Electric Fields in Ionic Liquids Determined by Vibrational Stark Effect Spectroscopy and Molecular Dynamics Simulation.

Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals.

Investigation of the characteristics of heat current in a nanofluid based on molecular dynamics simulation.

An improved structural characterisation of reduced French bean plastocyanin based on NMR data and local-elevation molecular dynamics simulation.

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