分子建模
分子建模(英語:Molecular modelling)或稱分子模擬,是指利用理論方法與計算技術,模擬出化學分子的外觀或性質,屬於計算化學與計算生物學領域的研究對象。並且是化學與生物學上,如結構生物學等學門所應用的研究方法。
分子建模軟體
參見
- 分子影像
外部連結
- Center for Molecular Modeling at the National Institutes of Health (NIH) (U.S. Government Agency)
- Molecular Simulation
- The eCheminfo 页面存档备份,存于 Network and Community of Practice in Informatics and Modeling
- Molecular Modelling Italian web portal
參考文獻
- A. R. Leach, Molecular Modelling: Principles and Applications, 2001, ISBN 0-582-38210-6
- D. Frenkel, B. Smit, Understanding Molecular Simulation: From Algorithms to Applications, 1996, ISBN 0-12-267370-0
- D. C. Rapaport, The Art of Molecular Dynamics Simulation, 2004, ISBN 0-521-82586-7
- R. J. Sadus, Molecular Simulation of Fluids: Theory, Algorithms and Object-Orientation, 2002, ISBN 0-444-51082-6
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