LiHong Hu (Former)
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- 2013
-
Mark
Accurate reaction energies in proteins obtained by combining QM/MM and large QM calculations
Hu, LiHong LU ; Söderhjelm, Pär LU and Ryde, Ulf LU
(2013)
In Journal of Chemical Theory and Computation
9.
p.640-649
- Contribution to journal › Article
- 2011
-
Mark
Accurate Predictions of Nonpolar Solvation Free Energies Require Explicit Consideration of Binding-Site Hydration
Genheden, Samuel LU ; Mikulskis, Paulius LU ; Hu, LiHong LU ; Kongsted, Jacob ; Söderhjelm, Pär and Ryde, Ulf LU
(2011)
In Journal of the American Chemical Society
133(33).
p.13081-13092
- Contribution to journal › Article
-
Mark
On the Convergence of QM/MM Energies
Hu, LiHong LU ; Soederhjelm, Paer and Ryde, Ulf LU
(2011)
In Journal of Chemical Theory and Computation
7(3).
p.761-777
- Contribution to journal › Article
-
Mark
Comparison of Methods to Obtain Force-Field Parameters for Metal Sites
Hu, LiHong LU and Ryde, Ulf LU
(2011)
In Journal of Chemical Theory and Computation
7(8).
p.2452-2463
- Contribution to journal › Article
-
Mark
Reorganization Energy for Internal Electron Transfer in Multicopper Oxidases.
Hu, LiHong LU ; Farrokhnia, Maryam LU ; Heimdal, Jimmy LU ; Shleev, Sergey LU ; Rulisek, Lubomir LU and Ryde, Ulf LU
(2011)
In The Journal of Physical Chemistry Part B
115(Online September 28, 2011).
p.13111-13126
- Contribution to journal › Article
- 2009
-
Mark
Do quantum mechanical energies calculated for small models of protein-active sites converge?
Hu, LiHong LU ; Eliasson, Jenny ; Heimdal, Jimmy LU and Ryde, Ulf LU
(2009)
In Journal of physical chemistry. A
113(43).
p.11793-11800
- Contribution to journal › Article