Free-energy calculations - Theoretical Biophysics Group
Free-energy calculations - Theoretical Biophysics Group
Free-energy calculations - Theoretical Biophysics Group
You also want an ePaper? Increase the reach of your titles
YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.
Foreword<br />
<strong>Free</strong>-<strong>energy</strong> differences can be estimated computationally following four different routes:<br />
Methods based on histograms, 44<br />
Non-equilibrium work simulations, 45<br />
Perturbation theory, 46<br />
Measuring the derivative and integrating it. 47<br />
44 WIDOM (1963); TORRIE, VALLEAU (1977)<br />
45 JARZYNSKI (1997); IZRAILEV ET AL. (1998); CROOKS (1999)<br />
46 LANDAU (1938); ZWANZIG (1954); BENNETT (1976)<br />
47 KIRKWOOD (1935); CARTER ET AL. (1989); WIDOM (1963)<br />
Chris Chipot <strong>Free</strong>-<strong>energy</strong> <strong>calculations</strong>
Change language