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The Journal of Physical Chemistry. B|July 18, 2012
Why is the oxidation state of iron crucial for the activity of heme-dependent aldoxime dehydratase? A QM/MM studyRong-Zhen Liao, Walter ThielAngewandte Chemie (International Ed. in English)|January 29, 2009
QM/MM methods for biomolecular systemsHans Martin Senn, Walter ThielJournal of Computational Chemistry|November 22, 2017
Reference Energies in Semiempirical ParametrizationsMartin G Hicks, Walter ThielCurrent Opinion in Chemical Biology|February 20, 2007
QM/MM studies of enzymesHans Martin Senn, Walter ThielChemistry (Weinheim an Der Bergstrasse, Germany)|April 20, 2005
Ring-closing olefin metathesis on ruthenium carbene complexes: model DFT study of stereochemistrySergei F Vyboishchikov, Walter ThielJournal of Chemical Theory and Computation|November 24, 2015
Comparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-Dependent Acetylene HydrataseRong-Zhen Liao, Walter ThielThe Journal of Physical Chemistry. B|March 23, 2013
On the effect of varying constraints in the quantum mechanics only modeling of enzymatic reactions: the case of acetylene hydrataseRong-Zhen Liao, Walter ThielThe Journal of Organic Chemistry|October 1, 2014
Origin of inversion versus retention in the oxidative addition of 3-chloro-cyclopentene to Pd(0)L(n)Larry M Wolf, Walter ThielJournal of Computational Chemistry|August 6, 2013
Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydrataseRong-Zhen Liao, Walter ThielJournal of Medicinal Chemistry|April 15, 2005
Differential inhibition of HIV-1 and SIV envelope-mediated cell fusion by C34 peptides derived from the C-terminal heptad repeat of gp41 from diverse strains of HIV-1, HIV-2, and SIVElena Gustchina, Gerhard Hummer, Carole A Bewley, et al.Pageof 59