Loading...
MCCE2: Improving Protein pK(a) Calculations with Extensive Side Chain Rotamer Sampling
Multiconformation continuum electrostatics (MCCE) explores different conformational degrees of freedom in Monte Carlo calculations of protein residue and ligand pK(a)s. Explicit changes in side chain conformations throughout a titration create a position dependent, heterogeneous dielectric response...
Na minha lista:
| Main Authors: | , , |
|---|---|
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2009
|
| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2735604/ https://ncbi.nlm.nih.gov/pubmed/19274707 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21222 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|