A carregar...
A new topological descriptor for water network structure
Bulk water molecular dynamics simulations based on a series of atomistic water potentials (TIP3P, TIP4P/Ew, SPC/E and OPC) are compared using new techniques from the field of topological data analysis. The topological invariants (the different degrees of homology) derived from each simulation frame...
Na minha lista:
| Publicado no: | J Cheminform |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2019
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6617667/ https://ncbi.nlm.nih.gov/pubmed/31292766 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0369-0 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|