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Angewandte Chemie (International Ed. in English)|August 3, 2022
Proton Transfer Pathways in Nitrogenase with and without Dissociated S2BHao Jiang, Oskar K G Svensson, Lili Cao, 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.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|February 24, 2023
Histidine oxidation in lytic polysaccharide monooxygenaseMagne Torbjörnsson, Marlisa M Hagemann, Ulf Ryde, et al.
Iucrj|December 12, 2025
Linear-scaling aspherical crystallographic refinement of proteins: a case study for crambin and rubredoxinJustin Bergmann, Florian Kleemiss, Joel Creutzberg, et al.
Acta Crystallographica. Section D, Structural Biology|April 17, 2019
Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic dataOctav Caldararu, Francesco Manzoni, Esko Oksanen, et al.
Physical Chemistry Chemical Physics : PCCP|December 6, 2017
Exploration of H<sub>2</sub> binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theoryGeng Dong, Ulf Ryde, Hans Jørgen Aa Jensen, et al.
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