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Lance Westerhoff

Research Profile

Concepts & Ideas

Phenomena

Occupations

Chemicals & Drugs

Genes & Molecular Sequences

Molecular Structure

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X Ray Crystallography

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Publications

TOP 3
Bing Wang; Lance Westerhoff; Kenneth M Merz
A critical assessment of the performance of protein-ligand scoring functions based on NMR chemical shift perturbations.
Kaushik Raha; Martin B Peters; Bing Wang; Ning Yu; Andrew M Wollacott; Lance Westerhoff; Kenneth M Merz
The role of quantum mechanics in structure-based drug design.
Lance Westerhoff; Kenneth M Merz
Quantum mechanical description of the interactions between DNA and water.

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All Publications

2007: Bing Wang; Lance Westerhoff; Kenneth M Merz
A critical assessment of the performance of protein-ligand scoring functions based on NMR chemical shift perturbations.
Journal of medicinal chemistry 2007;50(21):5128-34.
2007: Kaushik Raha; Martin B Peters; Bing Wang; Ning Yu; Andrew M Wollacott; Lance Westerhoff; Kenneth M Merz
The role of quantum mechanics in structure-based drug design.
Drug discovery today 2007;12(17-18):725-31.
2006: Lance Westerhoff; Kenneth M Merz
Quantum mechanical description of the interactions between DNA and water.
Journal of molecular graphics & modelling 2006;24(6):440-55.
2005: Kaushik Raha; Arjan van der Vaart; Kevin E Riley; Martin B Peters; Lance Westerhoff; Hwanho Kim; Kenneth M Merz
Pairwise decomposition of residue interaction energies using semiempirical quantum mechanical methods in studies of protein-ligand interaction.
Journal of the American Chemical Society 2005;127(18):6583-94.

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