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...

Full description

Bibliographic Details
Main Author: Cong Chen
Format: Dataset
Language:English
Published: Science Data Bank 2022
Subjects:
Molecular dynamics simulation
natural gas hydrate
three body aggregation
Energy science and technology;Chemical
Methane hydrate
Online Access:https://doi.org/10.11922/sciencedb.01505
id ftsciendatabank:10.11922/sciencedb.01505
record_format openpolar
spelling ftsciendatabank:10.11922/sciencedb.01505 2023-05-15T17:11:06+02:00 Initial and final PDB files for "Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth" Cong Chen 2022-02-14 https://doi.org/10.11922/sciencedb.01505 en eng Science Data Bank doi:10.11922/sciencedb.01505 EMBARGO https://creativecommons.org/licenses/by/4.0/ CC-BY Molecular dynamics simulation natural gas hydrate three body aggregation Energy science and technology;Chemical dataset 2022 ftsciendatabank https://doi.org/10.11922/sciencedb.01505 2022-02-17T17:23:38Z 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. Dataset Methane hydrate Science Data Bank (ScienceDB)
institution Open Polar
collection Science Data Bank (ScienceDB)
op_collection_id ftsciendatabank
language English
topic Molecular dynamics simulation
natural gas hydrate
three body aggregation
Energy science and technology;Chemical
spellingShingle Molecular dynamics simulation
natural gas hydrate
three body aggregation
Energy science and technology;Chemical
Cong Chen
Initial and final PDB files for "Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth"
topic_facet Molecular dynamics simulation
natural gas hydrate
three body aggregation
Energy science and technology;Chemical
description 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.
format Dataset
author Cong Chen
author_facet Cong Chen
author_sort Cong Chen
title Initial and final PDB files for "Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth"
title_short Initial and final PDB files for "Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth"
title_full Initial and final PDB files for "Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth"
title_fullStr Initial and final PDB files for "Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth"
title_full_unstemmed Initial and final PDB files for "Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth"
title_sort initial and final pdb files for "three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth"
publisher Science Data Bank
publishDate 2022
url https://doi.org/10.11922/sciencedb.01505
genre Methane hydrate
genre_facet Methane hydrate
op_relation doi:10.11922/sciencedb.01505
op_rights EMBARGO
https://creativecommons.org/licenses/by/4.0/
op_rightsnorm CC-BY
op_doi https://doi.org/10.11922/sciencedb.01505
_version_ 1766067951766601728

Similar Items