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Chapter 10

Computational Simulations of Tunnelling Reactions in Enzymes

The simulation of hydrogen transfer in enzymes provides a uniquely detailed atomistic insight into the reaction. Despite recent advances, such simulations remain challenging due to the importance of both electronic and nuclear quantum effects as well as the effects of protein motion. The incorporati...
Print publication date: 27 Mar 2009
Copyright year: 2009
Print ISBN: 978-0-85404-122-0
PDF eISBN: 978-1-84755-997-5
From the book series:
RSC Biomolecular Sciences