Insights into docking and scoring neuronal alpha4beta2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations

von Sgrignani, Jacopo
Veröffentlicht in: Journal of computational chemistry (2009)

Alpha7 nicotinic acetylcholine receptor agonists prediction of their binding affinity through a molecular mechanics Poisson-Boltzmann surface area approach

von Grazioso, Giovanni
Veröffentlicht in: Journal of computational chemistry (2008)