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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...

Publication details

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