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Disambiguation of "Thiel, Walter"

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Reductive half-reaction of aldehyde oxidoreductase toward acetaldehyde: Ab initio and free energy quantum mechanical/molecular mechanical calculations

, , , , and . J. Chem. Phys., 132 (3): 035101 (January 2010)
DOI: 10.1063/1.3280164

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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

NMR chemical shifts in MNDO approximation: Parameters and results for H, C, N, and O., and . Journal of Computational Chemistry, 20 (12): 1220-1245 (1999)Toward accurate barriers for enzymatic reactions: QM/MM case study on p-hydroxybenzoate hydroxylase, , , and . J. Chem. Phys., (2008)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)Beyond the MNDO model: Methodical considerations and numerical results., and . Journal of Computational Chemistry, 14 (7): 775-789 (1993)Chemical Library Subset Selection Algorithms: A Unified Derivation Using Spatial Statistics., , and . Journal of Chemical Information and Computer Sciences, 42 (2): 414-428 (2002)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)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)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)