Lanean...
Quantum Mechanics / Molecular Mechanics Method combined with Hybrid All-Atom and Coarse-Grained Model: Theory and Application on Redox Potential Calculations
We developed a new multi-resolution method that spans three levels of resolution with quantum mechanical, atomistic molecular mechanical and coarse-grained models. The resolution-adapted all-atom and coarse-grained water model, in which an all-atom structural description of the entire system is main...
Gorde:
| Argitaratua izan da: | J Chem Theory Comput |
|---|---|
| Egile Nagusiak: | , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
2016
|
| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4977206/ https://ncbi.nlm.nih.gov/pubmed/26930454 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b01107 |
| Etiketak: |
Etiketa erantsi
Etiketarik gabe, Izan zaitez lehena erregistro honi etiketa jartzen!
|