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Physical Chemistry Chemical Physics : PCCP
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July 17, 2012
Convergence of QM/MM free-energy perturbations based on molecular-mechanics or semiempirical simulations
Jimmy Heimdal, Ulf Ryde
The Journal of Physical Chemistry. B
|
February 7, 2008
Protonation of the proximal histidine ligand in heme peroxidases
Jimmy Heimdal, Patrik Rydberg, Ulf Ryde
The Journal of Physical Chemistry. B
|
September 11, 2008
QM/MM-PBSA method to estimate free energies for reactions in proteins
Markus Kaukonen, Pär Söderhjelm, Jimmy Heimdal, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Proton Transfer at Metal Sites in Proteins Studied by Quantum Mechanical Free-Energy Perturbations
Markus Kaukonen, Pär Söderhjelm, Jimmy Heimdal, et al.
The Journal of Physical Chemistry. A
|
September 30, 2009
Do quantum mechanical energies calculated for small models of protein-active sites converge?
LiHong Hu, Jenny Eliasson, Jimmy Heimdal, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
September 6, 2006
The role of axial ligands for the structure and function of chlorophylls
Jimmy Heimdal, Kasper P Jensen, Ajitha Devarajan, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 1, 2011
Reduction potentials and acidity constants of Mn superoxide dismutase calculated by QM/MM free-energy methods
Jimmy Heimdal, Markus Kaukonen, Martin Srnec, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 31, 2016
Controlling water evaporation through self-assembly
Kevin Roger, Marianne Liebi, Jimmy Heimdal, et al.
Nature Ecology & Evolution
|
October 20, 2017
Molecular signatures of fossil leaves provide unexpected new evidence for extinct plant relationships
Vivi Vajda, Milda Pucetaite, Stephen McLoughlin, et al.
The Journal of Physical Chemistry. B
|
September 30, 2011
Reorganization energy for internal electron transfer in multicopper oxidases
Lihong Hu, Maryam Farrokhnia, Jimmy Heimdal, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
July 17, 2012
Convergence of QM/MM free-energy perturbations based on molecular-mechanics or semiempirical simulations
Jimmy Heimdal, Ulf Ryde
The Journal of Physical Chemistry. B
|
February 7, 2008
Protonation of the proximal histidine ligand in heme peroxidases
Jimmy Heimdal, Patrik Rydberg, Ulf Ryde
The Journal of Physical Chemistry. B
|
September 11, 2008
QM/MM-PBSA method to estimate free energies for reactions in proteins
Markus Kaukonen, Pär Söderhjelm, Jimmy Heimdal, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Proton Transfer at Metal Sites in Proteins Studied by Quantum Mechanical Free-Energy Perturbations
Markus Kaukonen, Pär Söderhjelm, Jimmy Heimdal, et al.
The Journal of Physical Chemistry. A
|
September 30, 2009
Do quantum mechanical energies calculated for small models of protein-active sites converge?
LiHong Hu, Jenny Eliasson, Jimmy Heimdal, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
September 6, 2006
The role of axial ligands for the structure and function of chlorophylls
Jimmy Heimdal, Kasper P Jensen, Ajitha Devarajan, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 1, 2011
Reduction potentials and acidity constants of Mn superoxide dismutase calculated by QM/MM free-energy methods
Jimmy Heimdal, Markus Kaukonen, Martin Srnec, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 31, 2016
Controlling water evaporation through self-assembly
Kevin Roger, Marianne Liebi, Jimmy Heimdal, et al.
Nature Ecology & Evolution
|
October 20, 2017
Molecular signatures of fossil leaves provide unexpected new evidence for extinct plant relationships
Vivi Vajda, Milda Pucetaite, Stephen McLoughlin, et al.
The Journal of Physical Chemistry. B
|
September 30, 2011
Reorganization energy for internal electron transfer in multicopper oxidases
Lihong Hu, Maryam Farrokhnia, Jimmy Heimdal, et al.
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of 2