Pär Söderhjelm

31 – 40 of 43

show: 10
|
sort: year (new to old)

News feed Embed this list Save this search Mark all Export

Cancel

Embed this list

copy and paste the html snippet below into your own page:

<iframe src="https://lup.lub.lu.se/search/person/45ebbdaa-83be-4617-b881-8d2a64c0e7ef?embed=1&amp;hide_pagination=1&amp;hide_info=1&amp;hide_options=1"
  width="100%"
  height="400"
  allowtransparency="true"
  frameborder="0">
</iframe>

2009
Mark A first-principles approach to protein–ligand interaction
Söderhjelm, Pär ^LU (2009)
- Thesis › Doctoral thesis (compilation)
Mark Calculation of Protein-Ligand Interaction Energies by a Fragmentation Approach Combining High-Level Quantum Chemistry with Classical Many-Body Effects
Söderhjelm, Pär ^LU ; Aquilante, Francesco and Ryde, Ulf ^LU (2009) In The Journal of Physical Chemistry Part B 113(32). p.11085-11094
- 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
Söderhjelm, Pär ^LU and Ryde, Ulf ^LU (2009) In Journal of physical chemistry. A 113(3). p.617-627
- Contribution to journal › Article
2008
Mark On the performance of quantum chemical methods to predict solvatochromic effects: The case of acrolein in aqueous solution.
Aidas, Kestutis ; Mo̸gelho̸j, Andreas ; Nilsson, Elna J K ^LU ; Johnson, Matthew S ; Mikkelsen, Kurt V ; Christiansen, Ove ; Söderhjelm, Pär ^LU and Kongsted, Jacob ^LU (2008) In Journal of Chemical Physics 128(19). p.1-194503
- Contribution to journal › Article
Mark Proton transfer at metal sites in proteins studied by quantum mechanical free-energy perturbations
Kaukonen, Markus ^LU ; Söderhjelm, Pär ^LU ; Heimdal, Jimmy ^LU and Ryde, Ulf ^LU (2008) In Journal of Chemical Theory and Computation 4(6). p.985-1001
- Contribution to journal › Article
Mark Accuracy of typical approximations in classical models of intermolecular polarization
Söderhjelm, Pär ^LU ; Öhrn, Anders ^LU ; Ryde, Ulf ^LU and Karlström, Gunnar ^LU (2008) In Journal of Chemical Physics 128(1).
- Contribution to journal › Article
Mark QM/MM-PBSA method to estimate free energies for reactions in proteins
Kaukonen, Markus ^LU ; Söderhjelm, Pär ^LU ; Heimdal, Jimmy ^LU and Ryde, Ulf ^LU (2008) In The Journal of Physical Chemistry Part B 112(39). p.12537-12548
- Contribution to journal › Article
Mark The ozone ring closure as a test for multi-state multi-configurational second order perturbation theory (MS-CASPT2)
De Vico, Luca ^LU ; Pegado, Luis ^LU ; Heimdal, Jimmy ^LU ; Söderhjelm, Pär ^LU and Roos, Björn ^LU (2008) In Chemical Physics Letters 461(1-3). p.136-141
- Contribution to journal › Article
2007
Mark Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models
Söderhjelm, Pär ^LU ; Krogh, Jesper Wisborg ^LU ; Karlström, Gunnar ^LU ; Ryde, Ulf ^LU and Lindh, Roland ^LU (2007) In Journal of Computational Chemistry 28(6). p.1083-1090
- Contribution to journal › Article