Investigation of Chitosan, Quercetin and Water Interactions using Free Energy Calculations and Molecular Docking
<p class="orbitalabstract">Predicting the preferred orientation of a ligand to a receptor and the free energy (ΔG<sub>AB</sub>) of these molecules in a solution is very useful for pharmaceutical applications. In this work, ΔG<sub>AB</sub> between chitosan and...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Universidade Federal de Mato Grosso do Sul
2019-04-01
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| Series: | Orbital: The Electronic Journal of Chemistry |
| Subjects: | |
| Online Access: | http://orbital.ufms.br/index.php/Chemistry/article/view/1344 |