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Disambiguation of "Thiel, Walter"

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Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2.

, , , and . J. Comput. Chem., 37 (19): 1801-1809 (2016)

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Walter Thiel

Walter Thiel

Walter Thiel

Walter Thiel

Walter Thiel

 

Other publications of authors with the same name

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). J. Comput. Aided Mol. Des., 30 (11): 989-1006 (2016)Beyond the MNDO model: Methodical considerations and numerical results., and . J. Comput. Chem., 14 (7): 775-789 (1993)On the Origin of the Stabilization of the Zwitterionic Resting State of Cysteine Proteases: A Theoretical Study, , , , and . Journal of the American Chemical Society, 130 (27): 8696--8705 (July 2008)NMR chemical shifts in MNDO approximation: Parameters and results for H, C, N, and O., and . J. Comput. Chem., 20 (12): 1220-1245 (1999)Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2., , , and . J. Comput. Chem., 37 (19): 1801-1809 (2016)Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modeling., , , and . J. Comput. Chem., 36 (21): 1621-1630 (2015)Multipoles and Symmetry, , and . Journal of Chemical Education, 72 (6): 505 (June 1995)QM/MM study of the taxadiene synthase mechanism., , and . J. Comput. Chem., 40 (21): 1902-1910 (2019)Description of peptide and protein secondary structures employing semiempirical methods., , and . J. Comput. Chem., 22 (5): 509-520 (2001)Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach., , and . J. Comput. Chem., 24 (6): 714-726 (2003)