Carregant...

Implicit ligand theory for relative binding free energies

Implicit ligand theory enables noncovalent binding free energies to be calculated based on an exponential average of the binding potential of mean force (BPMF)—the binding free energy between a flexible ligand and rigid receptor—over a precomputed ensemble of receptor configurations. In the original...

Descripció completa

Guardat en:
Dades bibliogràfiques
Publicat a:J Chem Phys
Autors principals: Nguyen, Trung Hai, Minh, David D. L.
Format: Artigo
Idioma:Inglês
Publicat: AIP Publishing LLC 2018
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5851784/
https://ncbi.nlm.nih.gov/pubmed/29544299
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5017136
Etiquetes: Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!