Cargando…
Hydrogen Bonding Penalty upon Ligand Binding
Ligand binding involves breakage of hydrogen bonds with water molecules and formation of new hydrogen bonds between protein and ligand. In this work, the change of hydrogen bonding energy in the binding process, namely hydrogen bonding penalty, is evaluated with a new method. The hydrogen bonding pe...
Autores principales: | Zhao, Hongtao, Huang, Danzhi |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3117785/ https://www.ncbi.nlm.nih.gov/pubmed/21698148 http://dx.doi.org/10.1371/journal.pone.0019923 |
Ejemplares similares
-
Protein sequence optimization with a pairwise decomposable penalty for buried unsatisfied hydrogen bonds
por: Coventry, Brian, et al.
Publicado: (2021) -
Side-chain rotamer changes upon ligand binding: common, crucial, correlate with entropy and rearrange hydrogen bonding
por: Gaudreault, Francis, et al.
Publicado: (2012) -
Regulation of protein-ligand binding affinity by hydrogen bond pairing
por: Chen, Deliang, et al.
Publicado: (2016) -
HBcompare: Classifying Ligand Binding Preferences with Hydrogen Bond Topology
por: Tam, Justin Z., et al.
Publicado: (2022) -
One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites
por: Fischer, Marcus, et al.
Publicado: (2015)