Augmenting the anisotropic network model with torsional potentials improves PATH performance, enabling detailed comparison with experimental rate data

PATH algorithms for identifying conformational transition states provide computational parameters—time to the transition state, conformational free energy differences, and transition state activation energies—for comparison to experimental data and can be carried out sufficiently rapidly to use in t...

Celý popis

Uloženo v:
Podrobná bibliografie
Vydáno v:Struct Dyn
Hlavní autoři: Chandrasekaran, Srinivas Niranj, Carter, Charles W.
Médium: Artigo
Jazyk:Inglês
Vydáno: American Crystallographic Association 2017
Témata:
Transactions from the 66th Annual Meeting of the American Crystallographic Association (Aca)
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5315668/
https://ncbi.nlm.nih.gov/pubmed/28289692
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4976142
Tagy: Přidat tag
Žádné tagy, Buďte první, kdo otaguje tento záznam!

Podobné jednotky