Pär Söderhjelm
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- 2006
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Mark
Ligand affinities predicted with the MM/PBSA method: Dependence on the simulation method and the force field
Weis, Aaron ; Katebzadeh, Kambiz LU ; Söderhjelm, Pär LU ; Nilsson, Ingemar and Ryde, Ulf LU
(2006)
In Journal of Medicinal Chemistry
49(22).
p.6596-6606
- Contribution to journal › Article
-
Mark
Comparison of overlap-based models for approximating the exchange-repulsion energy
Söderhjelm, Pär LU ; Karlström, Gunnar LU and Ryde, Ulf LU
(2006)
In Journal of Chemical Physics
124(24).
- Contribution to journal › Article
-
Mark
Combined computational and crystallographic study of the oxidised states of [NiFe] hydrogenase
Söderhjelm, Pär LU and Ryde, Ulf LU
(2006)
In Journal of molecular structure. Theochem
770(1-3).
p.199-219
- Contribution to journal › Article