Identification of HIV Inhibitors Guided by Free Energy Perturbation Calculations

Free energy perturbation (FEP) theory coupled to molecular dynamics (MD) or Monte Carlo (MC) statistical mechanics offers a theoretically precise method for determining the free energy differences of related biological inhibitors. Traditionally requiring extensive computational resources and experti...

Full beskrivning

Sparad:
Bibliografiska uppgifter
Huvudupphovsmän: Acevedo, Orlando, Ambrose, Zandrea, Flaherty, Patrick T., Aamer, Hadega, Jain, Prashi, Sambasivarao, Somisetti V.
Materialtyp: Artigo
Språk:Inglês
Publicerad: 2012
Ämnen:
Article
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC3605731/
https://ncbi.nlm.nih.gov/pubmed/22316150
Taggar: Lägg till en tagg
Inga taggar, Lägg till första taggen!

Liknande verk