A carregar...
Accurate theoretical prediction of vibrational frequencies in an inhomogeneous dynamic environment: A case study of a glutamate molecule in water solution and in a protein-bound form
We propose a hierarchical approach to model vibrational frequencies of a ligand in a strongly fluctuating inhomogeneous environment such as a liquid solution or when bound to a macromolecule, e.g., a protein. Vibrational frequencies typically measured experimentally are ensemble averaged quantities...
Na minha lista:
| Publicado no: | J Chem Phys |
|---|---|
| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2004
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4492463/ https://ncbi.nlm.nih.gov/pubmed/15260697 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.1752887 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|