Recent Progress in Treating Protein–Ligand Interactions with Quantum-Mechanical Methods

We review the first successes and failures of a “new wave” of quantum chemistry-based approaches to the treatment of protein/ligand interactions. These approaches share the use of “enhanced”, dispersion (D), and/or hydrogen-bond (H) corrected density functional theory (DFT) or semi-empirical quantum...

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Detalles Bibliográficos
Autores principales: Yilmazer, Nusret Duygu, Korth, Martin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4881564/
https://www.ncbi.nlm.nih.gov/pubmed/27196893
http://dx.doi.org/10.3390/ijms17050742

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4881564/
https://www.ncbi.nlm.nih.gov/pubmed/27196893
http://dx.doi.org/10.3390/ijms17050742

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