Stories of My Journeys Through Valence Bond Theory, DFT, MD and their Applications to Complex Objects,Israel Journal of Chemistry

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Stories of My Journeys Through Valence Bond Theory, DFT, MD and their Applications to Complex Objects
Israel Journal of Chemistry ( IF 2.3 ) Pub Date : 2020-12-29 , DOI: 10.1002/ijch.202000090
Sason Shaik ₁

Affiliation

This Rosarium Philosophorum essay tells the story of the author's “conversion” to a theorist, and then the events which led him to stumble over valence bond (VB) theory, and his developments of “VB diagrams” as conceptual tools which enable one to describe all chemical reactions. The story continues to the adventure with the enzyme Cytochrome P450, and how this interest led eventually the author to treat the reactivity of this enzyme using VB diagrams. And finally, the essay describes the author's struggle with complexity through molecular dynamics of these enzymes. This is also a story of interactions between individuals who seek insight and wisdom and how they influence one another through friendships and teacher-disciples relations. This is the key wisdom one garners through scientific life.

中文翻译：

我通过价键理论、DFT、MD 及其在复杂对象中的应用的旅程故事

这篇 Rosarium Philosophorum 文章讲述了作者“转变”为理论家的故事，以及导致他绊倒价键 (VB) 理论的事件，以及他将“VB 图”作为概念工具的发展，使人们能够描述所有的化学反应。故事继续与酶细胞色素 P450 的冒险，以及这种兴趣如何最终导致作者使用 VB 图来处理这种酶的反应性。最后，这篇文章描述了作者通过这些酶的分子动力学与复杂性作斗争。这也是一个寻求洞察力和智慧的个体之间的互动，以及他们如何通过友谊和师徒关系相互影响的故事。这是一个人通过科学生活获得的关键智慧。

更新日期：2020-12-29

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