Peter D. J. Grootenhuis

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Chapter 28. Recent Developments in Molecular Diversity: Computational Approaches to Combinatorial Chemistry

David C. Spellmeyer, D. Spellmeyer, P. Grootenhuis, 1999 .

Kinetic Resolutions and Enantioselective Transformations of 5-(Acyloxy)pyrrolinones Using Candida antarctica Lipase B: Synthetic and Structural Aspects

Richard M. Kellogg, Peter D. J. Grootenhuis, Bernard Feringa, 1999 .

Rescue of CF airway epithelial cell function in vitro by a CFTR potentiator, VX-770

Jinglan Zhou, P. Negulescu, P. Grootenhuis, 2009, Proceedings of the National Academy of Sciences.

Parametrization and application of CHEAT95, and extended atom force field for hydrated oligosaccharides

P. Grootenhuis, Peter D. J. Grootenhuis, Milou L. C. E. Kouwizjer, 1995 .

3D Database searching on the basis of ligand shape using the sperm prototype method

V. J. V. Geerestein, P. Grootenhuis, Peter D. J. Grootenhuis, 1990 .

Crown Ether-Neutral Molecule Interactions Studied by Molecular Mechanics, Normal Mode Analysis, and Free Energy Perturbation Calculations. Near Quantitative Agreement Between Theory and Experimental Binding Free Energies

Peter A. Kollman, Peter D. J. Grootenhuis, 1989 .

A CHARMm Based Force Field for Carbohydrates Using the CHEAT Approach: Carbohydrate Hydroxyl Groups Represented by Extended Atoms

P. Grootenhuis, C. Haasnoot, Peter D. J. Grootenhuis, 1993 .

Parametrization and Application of CHEAT95, an Extended Atom Force Field for Hydrated (Oligo)saccharides

Peter D. J. Grootenhuis, M. L. C. E. Kouwijzer, 1996 .

Polar Molecular Surface as a Dominating Determinant for Oral Absorption and Brain Penetration of Drugs

Denis M. Bayada, Jan Kelder, P. Grootenhuis, 1999, Pharmaceutical Research.

Binding affinities and non-bonded interaction energies

Peter D. J. Grootenhuis, Ronald M.A. Knegtel, 1998 .

Rational Approaches Towards Protease Inhibition: Predicting the Binding of Thrombin Inhibitors

Steven P. van Helden, P. Grootenhuis, Peter D. J. Grootenhuis, 1994 .