| Autor: |
Hurley, Matthew F.D., Northrup, Justin D., Ge, Yunhui, Schafmeister, Christian E., Voelz, Vincent A. |
| Rok vydání: |
2021 |
| DOI: |
10.5281/zenodo.4430603 |
| Popis: |
This repository contains the trajectory data for the two ion-bindingcyclic peptoid macrocycles referenced inIon-Binding Mechanisms of Spiroligomer-Peptoid Macrocycles, as well astheir corresponding coordinate files. The remainder of the analysis and plotting code can be found at https://github.com/yabmtm/macrocycles. These trajectories do not contain the explicit solvent molecules they were simulated with since we were only concerned with macrocycle-ion interactions. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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