1 – 10 of 10
- show: 10
- |
- sort: year (new to old)
Close
Embed this list
<iframe src=" "
width=" "
height=" "
allowtransparency="true"
frameborder="0">
</iframe>
- 2012
-
Mark
Convergence of QM/MM free-energy perturbations based on molecular-mechanics or semiempirical simulations.
(
- Contribution to journal › Article
- 2011
-
Mark
Reorganization Energy for Internal Electron Transfer in Multicopper Oxidases.
(
- Contribution to journal › Article
-
Mark
Reduction Potentials and Acidity Constants of Mn Superoxide Dismutase Calculated by QM/MM Free-Energy Methods.
(
- Contribution to journal › Article
- 2009
-
Mark
Do quantum mechanical energies calculated for small models of protein-active sites converge?
(
- Contribution to journal › Article
- 2008
-
Mark
Proton transfer at metal sites in proteins studied by quantum mechanical free-energy perturbations
(
- Contribution to journal › Article
-
Mark
QM/MM-PBSA method to estimate free energies for reactions in proteins
(
- Contribution to journal › Article
-
Mark
Protonation of the proximal histidine ligand in heme peroxidases.
(
- Contribution to journal › Article
-
Mark
A comparison of the tetrapyrrole cofactors in nature and their tuning by axial ligands
2008) p.27-56(
- Chapter in Book/Report/Conference proceeding › Book chapter
- 2007
-
Mark
The role of axial ligands for the structure and function of chlorophylls
(
- Contribution to journal › Article
-
Mark
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide
(
- Contribution to journal › Article