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Proceedings of the National Academy of Sciences of the United States of America|June 19, 2019
Membrane perforation by the pore-forming toxin pneumolysinMartin Vögele, Ramachandra M Bhaskara, Estefania Mulvihill, et al.The Journal of Physical Chemistry. B|August 21, 2008
Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the stereoselectivity of epoxide-based inhibitorsMilena Mladenovic, Kay Ansorg, Reinhold F Fink, et al.Angewandte Chemie (International Ed. in English)|October 7, 2016
Photoisomerization of Arylazopyrazole Photoswitches: Stereospecific Excited-State RelaxationYa-Ting Wang, Xiang-Yang Liu, Ganglong Cui, et al.The Journal of Chemical Physics|April 20, 2005
Dipole moment and rovibrational intensities in the electronic ground state of NH3: bridging the gap between ab initio theory and spectroscopic experimentSergei N Yurchenko, Miguel Carvajal, Hai Lin, et al.Journal of Chemical Theory and Computation|January 9, 2016
Excited-State Proton-Transfer-Induced Trapping Enhances the Fluorescence Emission of a Locked GFP ChromophoreXiang-Yang Liu, Xue-Ping Chang, Shu-Hua Xia, et al.The Journal of Physical Chemistry. B|April 9, 2008
Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the regiospecificity and the inhibition potency of epoxide- and aziridine-based inhibitorsMilena Mladenovic, Konstantin Junold, Reinhold F Fink, et al.Journal of the American Chemical Society|December 18, 2003
Active species of horseradish peroxidase (HRP) and cytochrome P450: two electronic chameleonsSam P de Visser, Sason Shaik, Pankaz K Sharma, et al.Journal of the American Chemical Society|October 9, 2015
Confined Acid-Catalyzed Asymmetric Carbonyl-Ene CyclizationLuping Liu, Markus Leutzsch, Yiying Zheng, et al.Angewandte Chemie (International Ed. in English)|July 27, 2017
Catalytic Reductive Pinacol-Type Rearrangement of Unactivated 1,2-Diols through a Concerted, Stereoinvertive MechanismNikolaos Drosos, Gui-Juan Cheng, Erhan Ozkal, et al.Physical Chemistry Chemical Physics : PCCP|April 6, 2018
Ultrafast action chemistry in slow motion: atomistic description of the excitation and fluorescence processes in an archetypal fluorescent proteinPau Armengol, Lasse Spörkel, Ricard Gelabert, et al.Pageof 59