Initial and final PDB files for "Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth"
This data is initial and final PDB files for molecular dynamics simulation of methane hydrate nucleation and growth. With this data, a paper named "Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth" has been published in Communications Chemist...
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| Format: | Dataset |
| Language: | English |
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Science Data Bank
2022
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| Online Access: | https://doi.org/10.11922/sciencedb.01505 |
| Summary: | This data is initial and final PDB files for molecular dynamics simulation of methane hydrate nucleation and growth. With this data, a paper named "Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth" has been published in Communications Chemistry. This data is generated using NAMD software by performing several molecular dynamics simulations at low temperature and high pressure to form methane hydrate. |
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