Interfaces and hydrophobic interactions in receptor-ligand systems: A level-set variational implicit solvent approach

A model nanometer-sized hydrophobic receptor-ligand system in aqueous solution is studied by the recently developed level-set variational implicit solvent model (VISM). This approach is compared to all-atom computer simulations. The simulations reveal complex hydration effects within the (concave) r...

Fuld beskrivelse

Na minha lista:
Bibliografiske detaljer
Main Authors: Cheng, Li-Tien, Wang, Zhongming, Setny, Piotr, Dzubiella, Joachim, Li, Bo, McCammon, J. Andrew
Format: Artigo
Sprog:Inglês
Udgivet: American Institute of Physics 2009
Fag:
Theoretical Methods and Algorithms
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2771049/
https://ncbi.nlm.nih.gov/pubmed/19831428
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3242274
Tags: Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!

Lignende værker