Llwytho...
Using Selectively Applied Accelerated Molecular Dynamics to Enhance Free Energy Calculations
Accelerated molecular dynamics (aMD) has been shown to enhance conformational space sampling relative to classical molecular dynamics; however, the exponential reweighting of aMD trajectories, which is necessary for the calculation of free energies relating to the classical system, is oftentimes pro...
Wedi'i Gadw mewn:
| Prif Awduron: | , |
|---|---|
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
American Chemical Society
2010
|
| Mynediad Ar-lein: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2976571/ https://ncbi.nlm.nih.gov/pubmed/21072329 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct100322t |
| Tagiau: |
Ychwanegu Tag
Dim Tagiau, Byddwch y cyntaf i dagio'r cofnod hwn!
|