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This ERRATUM accompanies the review paper by Christoph Dellago and Peter Bolhuis titled
"Transition path sampling simulations of biological systems". This review appeared in the Topics in Current Chemistry volume 268 : Atomistic
Approaches in Modern Biology: From Quantum Chemistry to Molecular
Simulations
published by Springer in January
2007
On page 311 of the review it is stated that the method used by Schlick and
Radhankrishnan described in the Proc. Natl. Acad. Sci. 101, 5970 (2004) is
in our view slightly biased. This is incorrect. The BOLAS method is
described in more detail in a subsequent publication (R. Radhakrishnan
and T. Schlick, J. Chem. Phys. 121, 2436 ( 2004) ) that escaped our
attention and was not in the reference list. Here we would like to state
that the BOLAS method is correct and can be used to study free energy
barriers for complex (biological) processes.
In the same paragraph it is stated that the same authors used the QM/MM
approach for the creation of long trajectories. This turned out not to
have been the case. Instead a classical force field was used. See R.
Radhakrishnan and T. Schlick, Proc. Natl. Acad. Sci. 101, 5970 (2004) and
J. Am. Chem. Soc. 127, 13245-13252 (2005) for more details.
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