Cargando…
Quantitative Characterization of Binding Pockets and Binding Complementarity by Means of Zernike Descriptors
[Image: see text] In this work, we describe the application of the Zernike formalism to quantitatively characterize the binding pockets of two sets of biologically relevant systems. Such an approach, when applied to molecular dynamics trajectories, is able to pinpoint the subtle differences between...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7997106/ https://www.ncbi.nlm.nih.gov/pubmed/32050068 http://dx.doi.org/10.1021/acs.jcim.9b01066 |