Cargando...
Constant pH Molecular Dynamics with Proton Tautomerism
The current article describes a new two-dimensional λ-dynamics method to include proton tautomerism in continuous constant pH molecular dynamics (CPHMD) simulations. The two-dimensional λ-dynamics framework is used to devise a tautomeric state titration model for the CPHMD simulations involving carb...
Gardado en:
| Main Authors: | , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Biophysical Society
2005
|
| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1366513/ https://ncbi.nlm.nih.gov/pubmed/15863480 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.105.061341 |
| Tags: |
Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!
|