𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Free energy of charge transfer and intraprotein electric field: method of calculation depends on the charge state of protein at a given structure

✍ Scribed by Edward L. Mertz; Lev I. Krishtalik


Book ID
108431317
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
113 KB
Volume
48
Category
Article
ISSN
1567-5394

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Solvent free energies for electron trans
✍ Daniel A. Rose; Ilan Benjamin πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 468 KB

Solvent free energies for electron transfer reactions at the water/Pt interface are calculated using molecular dynamics umbrella sampling for different ion charges and external electric fields. In all cases, the free energy curves as a function of solvent coordinate are in reasonable agreement with

Conformational state-specific free energ
✍ Zhixiong Lin; Wilfred F. Van Gunsteren; Haiyan Liu πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 324 KB

## Abstract The one‐step free energy perturbation approach can be applied to obtain conformational state‐specific free energy differences (FEDs) associated with changes in force field parameters, and thus offers the possibility to consider conformational equilibria during force field parameterizati