Ulf Ryde
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- 2009
-
Mark
Protein Influence on Electronic Spectra Modeled by Multipoles and Polarizabilities
Söderhjelm, Pär LU ; Husberg, Charlotte ; Strambi, Angela ; Olivucci, Massimo and Ryde, Ulf LU
(2009)
In Journal of Chemical Theory and Computation
5(3).
p.649-658
- Contribution to journal › Article
-
Mark
Conformational entropy changes upon lactose binding to the carbohydrate recognition domain of galectin-3.
Diehl, Carl LU ; Genheden, Samuel LU ; Modig, Kristofer LU
; Ryde, Ulf
LU
and Akke, Mikael
LU
(2009)
In Journal of Biomolecular NMR
45(1-2).
p.157-169
- Contribution to journal › Article
-
Mark
Studies of Ferric Heme Proteins with Highly Anisotropic/Highly Axial Low Spin (S=1/2) Electron Paramagnetic Resonance Signals with bis-Histidine and Histidine-Methionine Axial Iron Coordination
Zoppellaro, Giorgio ; Bren, Kara L. ; Ensign, Amy A. ; Harbitz, Espen ; Kaur, Ravinder ; Hersleth, Hans-Petter ; Ryde, Ulf LU
; Hederstedt, Lars
LU
and Andersson, K. Kristoffer
(2009)
In Biopolymers
91(12).
p.1064-1082
- Contribution to journal › Scientific review
-
Mark
QM/MM study of the insertion of metal ion into protoporphyrin IX by ferrochelatase
Wang, Yaxue ; Shen, Yong LU and Ryde, Ulf LU
(2009)
In Journal of Inorganic Biochemistry
103(12).
p.1680-1686
- Contribution to journal › Article
-
Mark
How accurate are continuum solvation models for drug-like molecules?
Kongsted, Jacob ; Söderhjelm, Pär LU and Ryde, Ulf LU
(2009)
In Journal of Computer-Aided Molecular Design
23(7).
p.395-409
- Contribution to journal › Article
-
Mark
How Accurate Can a Force Field Become? A Polarizable Multipole Model Combined with Fragment-wise Quantum-Mechanical Calculations
- Contribution to journal › Article
-
Mark
An improved method to predict the entropy term with the MM/PBSA approach.
Kongsted, Jacob LU and Ryde, Ulf LU
(2009)
In Journal of Computer-Aided Molecular Design
23.
p.63-71
- Contribution to journal › Article
-
Mark
Influence of the [2Fe](H) Subcluster Environment on the Properties of Key Intermediates in the Catalytic Cycle of [FeFe] Hydrogenases: Hints for the Rational Design of Synthetic Catalysts
Bruschi, Maurizio ; Greco, Claudio ; Kaukonen, Markus LU ; Fantucci, Piercarlo ; Ryde, Ulf LU
and De Gioia, Luca
(2009)
In Angewandte Chemie (International edition)
48(19).
p.3503-3506
- Contribution to journal › Article
-
Mark
Conformational dependence of charges in protein simulations
- Contribution to journal › Article
-
Mark
Quantum mechanical/molecular mechanical (QM/MM) methods and applications in bioinorganic chemistry
- Chapter in Book/Report/Conference proceeding › Book chapter