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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 16, 2022
Can Water Act as a Nucleophile in CO Oxidation Catalysed by Mo/Cu CO-Dehydrogenase? Answers from TheoryAnna Rovaletti, Giorgio Moro, Ugo Cosentino, et al.Biochimica Et Biophysica Acta. Proteins and Proteomics|May 25, 2023
Comparison of force fields to study the zinc-finger containing protein NPL4, a target for disulfiram in cancer therapySimone Scrima, Matteo Tiberti, Ulf Ryde, et al.Iucrj|September 30, 2024
Quantum refinement in real and reciprocal space using the Phenix and ORCA softwareKristoffer J M Lundgren, Octav Caldararu, Esko Oksanen, et al.The Journal of Physical Chemistry. A|June 23, 2006
Structural and photoluminescence properties of excited state intramolecular proton transfer capable compounds-potential emissive and electron transport materialsAlexander V Gaenko, Ajitha Devarajan, Igor V Tselinskii, et al.Journal of Medicinal Chemistry|October 27, 2006
Ligand affinities predicted with the MM/PBSA method: dependence on the simulation method and the force fieldAaron Weis, Kambiz Katebzadeh, Pär Söderhjelm, et al.Journal of Biomolecular NMR|July 31, 2009
Conformational entropy changes upon lactose binding to the carbohydrate recognition domain of galectin-3Carl Diehl, Samuel Genheden, Kristofer Modig, et al.Journal of Chemical Theory and Computation|November 27, 2015
Protein Influence on Electronic Spectra Modeled by Multipoles and PolarizabilitiesPär Söderhjelm, Charlotte Husberg, Angela Strambi, et al.Journal of Chemical Information and Modeling|July 24, 2012
The normal-mode entropy in the MM/GBSA method: effect of system truncation, buffer region, and dielectric constantSamuel Genheden, Oliver Kuhn, Paulius Mikulskis, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 17, 2024
CO Oxidation Mechanism of Silver-Substituted Mo/Cu CO-Dehydrogenase - Analogies and Differences to the Native EnzymeAnna Rovaletti, Giorgio Moro, Ugo Cosentino, et al.Inorganic Chemistry|February 9, 2008
Secondary bonding interactions in biomimetic [2Fe-2S] clustersJoachim Ballmann, Sebastian Dechert, Eckhard Bill, et al.Pageof 56