Papers

With Tag: Molecular Dynamic

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Excess energy of cylindrical Coulomb crystals

Physical Review Letters | 1991

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Dielectric constant and proton order and disorder in ice Ih: Monte Carlo computer simulations

Journal of Chemical Physics | 2003 | 10.1063/1.1568337

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Molecular dynamics simulations of the effect of adsorption on SiO2 surfaces

Journal of Chemical Physics | 1992 | 10.1063/1.462958

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The hard sphere ’’glass transition’’

Journal of Chemical Physics | 1976 | 10.1063/1.433422

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A velocity reset method of simulating thermal motion and damping in gas–solid collisions

Journal of Chemical Physics | 1988 | 10.1063/1.454506

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Microscopic simulation of structure and dynamics of water and counterions in a monohydrated montmorillonite

Journal of Chemical Physics | 2002 | 10.1063/1.1493186

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P-found: The Protein Folding and Unfolding Simulation Repository

Martin Swain, Vitaliy Ostropytskyy, Daniel Berrar, Werner Dubitzky, Nuno Loureiroferreira, Rui M M Brito, Candida G Silva
2006 | 10.1109/CIBCB.2006.330978

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An improved molecular dynamics algorithm for the larger momentum molecular system

David T W Lin, Chingyu Yang, Rueiyong Wang, Yuhchung Hu
2008 | 10.1109/NEMS.2008.4484358

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First-principles study of hydrogen diffusion mechanism in Cr2O3

Shuqi Zheng, Haobo Yu, Changfeng Chen
Science China-technological Sciences | 2010 | 10.1007/s11431-010-4112-3

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GPS 2.0, a tool to predict kinase-specific phosphorylation sites in hierarchy.

Molecular & Cellular Proteomics | 2008 | 10.1074/mcp.M700574-MCP200

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Introducing Variable Gap Penalties into Three-Sequence Alignment for Protein Sequences

Chunyuan Lin, Chelun Hung, Chuan Yi Tang, Yehching Chung
2008 | 10.1109/WAINA.2008.101

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Visualizing molecular uncertainty: a path to the path

2008 | 10.1145/1400885.1401022

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Transferable interaction model for Al2O3

Physical Review B

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Investigation of jog motion in γ-TiAl via molecular dynamics

Philosophical Magazine Letters | 2010

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