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Ulf Ryde

Showing results (191-200 of 240) with videos related to

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Journal of Computer-Aided Molecular Design|September 12, 2018
Binding free energies in the SAMPL6 octa-acid host-guest challenge calculated with MM and QM methodsOctav Caldararu, Martin A Olsson, Majda Misini Ignjatović, et al.
Journal of the American Chemical Society|July 7, 2011
Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydrationSamuel Genheden, Paulius Mikulskis, LiHong Hu, et al.
The Journal of Physical Chemistry. B|September 30, 2011
Reorganization energy for internal electron transfer in multicopper oxidasesLihong Hu, Maryam Farrokhnia, Jimmy Heimdal, et al.
Physical Chemistry Chemical Physics : PCCP|April 12, 2017
H<sub>2</sub> binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methodsGeng Dong, Quan Manh Phung, Simon D Hallaert, et al.
Inorganic Chemistry|April 11, 2022
Benchmark Study of Redox Potential Calculations for Iron-Sulfur Clusters in ProteinsSonia Jafari, Yakini A Tavares Santos, Justin Bergmann, et al.
The Journal of Physical Chemistry. B|January 30, 2014
Large equatorial ligand effects on C-H bond activation by nonheme iron(IV)-oxo complexesXiaoli Sun, Caiyun Geng, Ruiping Huo, et al.
ACS Physical Chemistry Au|May 31, 2022
Comparison of Grand Canonical and Conventional Molecular Dynamics Simulation Methods for Protein-Bound Water NetworksVilhelm Ekberg, Marley L Samways, Majda Misini Ignjatović, et al.
Journal of the American Chemical Society|March 23, 2010
Functionally relevant interplay between the Fe(4)S(4) cluster and CN(-) ligands in the active site of [FeFe]-hydrogenasesMaurizio Bruschi, Claudio Greco, Luca Bertini, et al.
Dalton Transactions (Cambridge, England : 2003)|January 22, 2025
The Cu<sub>B</sub> site in particulate methane monooxygenase may be used to produce hydrogen peroxideKristoffer J M Lundgren, Lili Cao, Magne Torbjörnsson, et al.
Biophysical Journal|September 2, 2004
The protonation status of compound II in myoglobin, studied by a combination of experimental data and quantum chemical calculations: quantum refinementKristina Nilsson, Hans-Petter Hersleth, Thomas H Rod, et al.
Pageof 24

Showing results (191-200 of 240) with videos related to

Sort By:
Pageof 24
Journal of Computer-Aided Molecular Design|September 12, 2018
Binding free energies in the SAMPL6 octa-acid host-guest challenge calculated with MM and QM methodsOctav Caldararu, Martin A Olsson, Majda Misini Ignjatović, et al.
Journal of the American Chemical Society|July 7, 2011
Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydrationSamuel Genheden, Paulius Mikulskis, LiHong Hu, et al.
The Journal of Physical Chemistry. B|September 30, 2011
Reorganization energy for internal electron transfer in multicopper oxidasesLihong Hu, Maryam Farrokhnia, Jimmy Heimdal, et al.
Physical Chemistry Chemical Physics : PCCP|April 12, 2017
H<sub>2</sub> binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methodsGeng Dong, Quan Manh Phung, Simon D Hallaert, et al.
Inorganic Chemistry|April 11, 2022
Benchmark Study of Redox Potential Calculations for Iron-Sulfur Clusters in ProteinsSonia Jafari, Yakini A Tavares Santos, Justin Bergmann, et al.
The Journal of Physical Chemistry. B|January 30, 2014
Large equatorial ligand effects on C-H bond activation by nonheme iron(IV)-oxo complexesXiaoli Sun, Caiyun Geng, Ruiping Huo, et al.
ACS Physical Chemistry Au|May 31, 2022
Comparison of Grand Canonical and Conventional Molecular Dynamics Simulation Methods for Protein-Bound Water NetworksVilhelm Ekberg, Marley L Samways, Majda Misini Ignjatović, et al.
Journal of the American Chemical Society|March 23, 2010
Functionally relevant interplay between the Fe(4)S(4) cluster and CN(-) ligands in the active site of [FeFe]-hydrogenasesMaurizio Bruschi, Claudio Greco, Luca Bertini, et al.
Dalton Transactions (Cambridge, England : 2003)|January 22, 2025
The Cu<sub>B</sub> site in particulate methane monooxygenase may be used to produce hydrogen peroxideKristoffer J M Lundgren, Lili Cao, Magne Torbjörnsson, et al.
Biophysical Journal|September 2, 2004
The protonation status of compound II in myoglobin, studied by a combination of experimental data and quantum chemical calculations: quantum refinementKristina Nilsson, Hans-Petter Hersleth, Thomas H Rod, et al.
Pageof 24