Cargando…
Use of the Complementarity Principle in Docking Procedures: A New Approach for Evaluating the Correctness of Binding Poses
[Image: see text] Even though the first docking procedures were developed almost 40 years ago, they are still under intense development, alongside with their validation. In this article, we are proposing the use of the quantum free-orbital AlteQ method in evaluating the correctness of ligand binding...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2021
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154257/ https://www.ncbi.nlm.nih.gov/pubmed/33797240 http://dx.doi.org/10.1021/acs.jcim.0c01382 |