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Disambiguation of "Thiel, Walter"

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High-accuracy computation of reaction barriers in enzymes

, , , , , , , , , and . Angew. Chemie - Int. Ed., 45 (41): 6856–6859 (October 2006)
DOI: 10.1002/anie.200602711

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Maria Thiel University of Stuttgart

Sarah Thiel University of Stuttgart

Kirsten Thiel University of Stuttgart

Dr. -Ing. Simon Thiele University of Stuttgart

Walter Ganz University of Stuttgart

 

Other publications of authors with the same name

Semiempirical treatment of electrostatic potentials and partial charges in combined quantum mechanical and molecular mechanical approaches., and . Journal of Computational Chemistry, 17 (1): 87-108 (1996)High-accuracy computation of reaction barriers in enzymes, , , , , , , , , and . Angew. Chemie - Int. Ed., 45 (41): 6856–6859 (October 2006)Big data analysis of ab Initio molecular integrals in the neglect of diatomic differential overlap approximation., , , and . Journal of Computational Chemistry, 40 (4): 638-649 (2019)Force-field parameters for the simulation of tetrahedral intermediates of serine hydrolases., , and . Journal of Computational Chemistry, 30 (1): 154-162 (2009)Common system setup for the entire catalytic cycle of cytochrome P450cam in quantum mechanical/molecular mechanical studies., , and . Journal of Computational Chemistry, 28 (13): 2147-2158 (2007)Cyclization of an α, β-Unsaturated hydrazone catalyzed by a BINOL-phosphoric acid: Pericyclic or not?, , and . Journal of Computational Chemistry, 37 (2): 280-285 (2016)Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase., and . Journal of Computational Chemistry, 34 (27): 2389-2397 (2013)QM/MM study of the absorption spectra of DsRed.M1 chromophores., , and . Journal of Computational Chemistry, 31 (8): 1603-1612 (2010)Chemical Library Subset Selection Algorithms: A Unified Derivation Using Spatial Statistics., , and . Journal of Chemical Information and Computer Sciences, 42 (2): 414-428 (2002)Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge., , , , , , , , , and 2 other author(s). Journal of Computer-Aided Molecular Design, 30 (11): 989-1006 (2016)