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Physical Chemistry Chemical Physics : PCCP|January 27, 2011
Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyondMarcus Böckmann, Dominik Marx, Christine Peter, et al.Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|August 25, 2014
The iron-sulfur core in Rieske proteins is not symmetricMd Ehesan Ali, Nisanth N Nair, Marius Retegan, et al.Journal of Chemical Theory and Computation|December 3, 2015
Atomistic Force Field for Azobenzene Compounds Adapted for QM/MM Simulations with Applications to Liquids and Liquid CrystalsMarcus Böckmann, Christine Peter, Luigi Delle Site, et al.Angewandte Chemie (International Ed. in English)|May 22, 2019
Mechanical Activation Drastically Accelerates Amide Bond Hydrolysis, Matching Enzyme ActivityMichael F Pill, Allan L L East, Dominik Marx, et al.Nature Chemistry|July 27, 2026
Deciphering the infrared spectrum of the hydrated proton using full-dimensional quantum dynamicsDavid Mendive-Tapia, Christoph Schran, Banshi Das, et al.Chemical Science|November 2, 2022
State-resolved infrared spectrum of the protonated water dimer: revisiting the characteristic proton transfer doublet peakHenrik R Larsson, Markus Schröder, Richard Beckmann, et al.The Journal of Physical Chemistry. B|August 20, 2010
Revealing the magnetostructural dynamics of [2Fe-2S] ferredoxins from reduced-dimensionality analysis of antiferromagnetic exchange coupling fluctuationsS Annamaria Fiethen, Volker Staemmler, Nisanth N Nair, et al.The Journal of Physical Chemistry. B|January 15, 2026
The CP2K Program Package Made SimpleMarcella Iannuzzi, Jan Wilhelm, Frederick Stein, et al.The Journal of Physical Chemistry. B|October 23, 2018
Azidohomoalanine: A Minimally Invasive, Versatile, and Sensitive Infrared Label in Proteins To Study Ligand BindingClaudio Zanobini, Olga Bozovic, Brankica Jankovic, et al.Mabs|November 7, 2025
Paratope plasticity determines anti-HER2 (4B5) antibody specificityP Daniel Warren, Terry H Landowski, Mark S Dodson, et al.Pageof 23