Loading...
Generalized Born Based Continuous Constant pH Molecular Dynamics in Amber: Implementation, Benchmarking, and Analysis
Solution pH plays an important role in structure and dynamics of biomolecular systems; however, pH effects cannot be accurately accounted for in conventional molecular dynamics simulations based on fixed protonation states. Continuous constant pH molecular dynamics (CpHMD) based on the λ-dynamics fr...
Na minha lista:
| Udgivet i: | J Chem Inf Model |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2018
|
| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6516748/ https://ncbi.nlm.nih.gov/pubmed/29949356 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.8b00227 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|