English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

A novel overlap histogramming method based on Dual-TopologyHamiltonian-Replica-Exchange simulation technique is presented to efficientlycalculate relative free energy difference in rough energy landscape, in whichmultiple conformers coexist and are separated by large energy barriers. Theproposed method is based on the realization that both DT-HERM exchangeefficiency and confidence of free energy determination in overlap histogrammingmethod depend on the same criteria: neighboring states' energy derivativedistribution overlap. In this paper, we demonstrate this new methodology bycalculating free energy difference between amino acids: Leucine and Asparagine,which is an identified chanllenging system for free energy simulations.Comment: 14 pages with 4 figure

Synergistic approach to improve “alchemical” free energy calculation in rugged energy surface