Crossing the Boundaries within Computational Chemistry: From Molecular Dynamics to Cheminformatics and back
DOI:
https://doi.org/10.2533/chimia.2014.620Keywords:
Cheminformatics, Molecular dynamics simulationsAbstract
The research in the group for computational chemistry at the ETH Zurich focuses on the development of methods and software for classical molecular dynamics simulations and cheminformatics, and their application to biological and chemical questions. Here, important advances and challenges in these subfields of computational chemistry are reviewed and potential opportunities for cross-fertilization are outlined.Downloads
Published
2014-09-24
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Section
Scientific Articles
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Copyright (c) 2014 Swiss Chemical Society
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.
How to Cite
[1]
S. Riniker, Chimia 2014, 68, 620, DOI: 10.2533/chimia.2014.620.