Showing results (171-180 of 560) with videos related to
Sort By:
Pageof 56
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 H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theoryGeng Dong, Ulf Ryde, Hans Jørgen Aa Jensen, et al.Journal of Computer-Aided Molecular Design|September 8, 2016
Binding free energies in the SAMPL5 octa-acid host-guest challenge calculated with DFT-D3 and CCSD(T)Octav Caldararu, Martin A Olsson, Christoph Riplinger, et al.Physical Chemistry Chemical Physics : PCCP|January 29, 2014
Theoretical 57Fe Mössbauer spectroscopy: isomer shifts of [Fe]-hydrogenase intermediatesErik Donovan Hedegård, Stefan Knecht, Ulf Ryde, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 29, 2011
Isocyanide in biochemistry? A theoretical investigation of the electronic effects and energetics of cyanide ligand protonation in [FeFe]-hydrogenasesClaudio Greco, Maurizio Bruschi, Piercarlo Fantucci, et al.Physical Chemistry Chemical Physics : PCCP|December 7, 2010
Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow proteinTomás Rocha-Rinza, Kristian Sneskov, Ove Christiansen, et al.Inorganic Chemistry|December 19, 2006
Multireference ab initio calculations on reaction intermediates of the multicopper oxidasesJakub Chalupský, Frank Neese, Edward I Solomon, et al.Acta Crystallographica. Section D, Structural Biology|August 3, 2021
Exploring ligand dynamics in protein crystal structures with ensemble refinementOctav Caldararu, Vilhelm Ekberg, Derek T Logan, et al.Pageof 56