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Optimising Supramolecular Capsules Through Computational Design
Duarte Gonzalez, Fernanda
(Principal Investigator)
School of Chemistry
Overview
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Research output
(1)
Research output
Research output per year
2018
2018
2018
1
Article
Research output per year
Research output per year
1 results
Publication Year, Title
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Publication Year, Title
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Article
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2018
Cation–π interactions in protein–ligand binding: theory and data-mining reveal different roles for lysine and arginine
Kumar, K., Woo, S. M., Siu, T., Cortopassi, W. A., Duarte Gonzalez, F. & Paton, R. S.,
31 Jan 2018
, (E-pub ahead of print)
In:
Chemical Science.
Research output
:
Contribution to journal
›
Article
›
peer-review
Open Access
File
Lysine
100%
Arginine
100%
Cation
100%
Electrostatic Force
60%
k·p perturbation theory
40%