Molecular dynamics and protein function.
Molecular dynamics and protein function.
M. Karplus,J. Kuriyan
2005 · DOI: 10.1073/PNAS.0408930102
Proceedings of the National Academy of Sciences of the United States of America · 1,077 Citations
TLDR
Two areas, protein folding and enzymatic catalysis, are surveyed, in which simulations have contributed to a general understanding of mechanism.