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薛宇
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继续写下去吧，挺好。计算化学能广泛原因你说有二，但我看了半天，你只说了其一。能不能说说计算化学有什么意义？有什么应用？比如：http://www.nobelprize.org/nobel_prizes/chemistry/laureates/2013/press.html，诺贝尔官网上的press release上有一段是这么写的：
The work of Karplus, Levitt and Warshel is ground-breaking in that they managed to make Newton’s classical physics work side-by-side with the fundamentally different quantum physics. Previously, chemists had to choose to use either or. The strength of classical physics was that calculations were simple and could be used to model really large molecules. Its weakness, it offered no way to simulate chemical reactions. For that purpose, chemists instead had to use quantum physics. But such calculations required enormous computing power and could therefore only be carried out for small molecules.
也就是说，这三个人是将牛顿的经典物理和量子物理结合起来（这个可以理解，Michael没有学过化学），所以你也可以将这个工作看成是物理学的一个延伸，而不是化学。经典物理的好处是可以比较简单的模拟大分子，注意，是大分子。但是经典物理不能模拟化学反应，所以要使用量子物理。但量子物理仅能用于小分子。所以大家如果讲这个是给物理发的奖，那似乎也能说得过去。
接下来一段：This year’s Nobel Laureates in chemistry took the best from both worlds and devised methods that use both classical and quantum physics. For instance, in simulations of how a drug couples to its target protein in the body, the computer performs quantum theoretical calculations on those atoms in the target protein that interact with the drug. The rest of the large protein is simulated using less demanding classical physics.
注意哦，讲的还是经典和量子物理。另外，它可以讲了应用，那就是药物如何与靶蛋白结合，所以它对应用上的贡献就是药物设计和筛选，而这部分是生信或者计生这个领域主要的研究方向之一。
还有，生信这个专业出现时间也就20年左右，Michael做他拿奖的工作时，肯定不是生信的，因为没这个专业。但正是因为他的工作，才促使生信这个领域有结构这个方向，从而奠定生信领域三分天下的格局。
另外，1&3我压根就没有讲过，为什么不讲？很多人估计早猜到了然后笑而不语。呵呵，讲故事啦，何必太认真呢？
2013-10-14 10:16
The work of Karplus, Levitt and Warshel is ground-breaking in that they managed to make Newton’s classical physics work side-by-side with the fundamentally different quantum physics. Previously, chemists had to choose to use either or. The strength of classical physics was that calculations were simple and could be used to model really large molecules. Its weakness, it offered no way to simulate chemical reactions. For that purpose, chemists instead had to use quantum physics. But such calculations required enormous computing power and could therefore only be carried out for small molecules.
也就是说，这三个人是将牛顿的经典物理和量子物理结合起来（这个可以理解，Michael没有学过化学），所以你也可以将这个工作看成是物理学的一个延伸，而不是化学。经典物理的好处是可以比较简单的模拟大分子，注意，是大分子。但是经典物理不能模拟化学反应，所以要使用量子物理。但量子物理仅能用于小分子。所以大家如果讲这个是给物理发的奖，那似乎也能说得过去。
接下来一段：This year’s Nobel Laureates in chemistry took the best from both worlds and devised methods that use both classical and quantum physics. For instance, in simulations of how a drug couples to its target protein in the body, the computer performs quantum theoretical calculations on those atoms in the target protein that interact with the drug. The rest of the large protein is simulated using less demanding classical physics.
注意哦，讲的还是经典和量子物理。另外，它可以讲了应用，那就是药物如何与靶蛋白结合，所以它对应用上的贡献就是药物设计和筛选，而这部分是生信或者计生这个领域主要的研究方向之一。
还有，生信这个专业出现时间也就20年左右，Michael做他拿奖的工作时，肯定不是生信的，因为没这个专业。但正是因为他的工作，才促使生信这个领域有结构这个方向，从而奠定生信领域三分天下的格局。
另外，1&3我压根就没有讲过，为什么不讲？很多人估计早猜到了然后笑而不语。呵呵，讲故事啦，何必太认真呢？
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