Dirk Bakowies

Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches

Dirk Bakowies, Walter Thiel · The Journal of Physical Chemistry · 1996 · 1.3K citations

Natural Sciences, Chemistry, Computational Chemistry +16

The GROMOS software for biomolecular simulation: GROMOS05

Markus Christen, Philippe H. Hünenberger, Dirk Bakowies et al. · Journal of Computational Chemistry · 2005 · 653 citations · Full text

Natural Sciences, Biophysics, Chemistry +13

MNDO study of large carbon clusters

Dirk Bakowies, Walter Thiel · Journal of the American Chemical Society · 1991 · 298 citations

Natural Sciences, Chemistry, Materials Science +6

Elucidating the Nature of Enzyme Catalysis Utilizing a New Twist on an Old Methodology:  Quantum Mechanical−Free Energy Calculations on Chemical Reactions in Enzymes and in Aqueous Solution

Peter A. Kollman, Bernd Kuhn, Oreola Donini et al. · Accounts of Chemical Research · 2000 · 124 citations

Life Sciences, Biochemistry, Chemistry +17

Theoretical Study of Base-Catalyzed Amide Hydrolysis:  Gas- and Aqueous-Phase Hydrolysis of Formamide

Dirk Bakowies, Peter A. Kollman · Journal of the American Chemical Society · 1999 · 113 citations

Natural Sciences, Biochemistry, Chemistry +17