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

Sason Shaik*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

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.

Original languageEnglish
Article numbere202000090
JournalIsrael Journal of Chemistry
Volume62
Issue number1-2
DOIs
StatePublished - Feb 2022

Bibliographical note

Publisher Copyright:
© 2020 Wiley-VCH GmbH.

Keywords

  • Cytochrome P450
  • Density Functional Theory
  • Metallo-Enzymes
  • Molecular Dynamic Simulation
  • Molecular Orbital Theory
  • Valence Bond theory
  • VBCMD
  • VBSCD

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