Cargando…
Molecular Binding Interactions: Their Estimation and Rationalization in QSARs in Terms of Theoretically Derived Parameters
An extensive survey of molecular binding interactions and parameters used in QSARs is reported, which includes consideration of lipophilicity and the derivation of Linear Free Energy Relationships associated with drug-receptor binding, together with an overview of the various contributions to bindin...
Autores principales: | Lewis, David F.V., Broughton, Howard B. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
TheScientificWorldJOURNAL
2002
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6009309/ https://www.ncbi.nlm.nih.gov/pubmed/29973856 http://dx.doi.org/10.1100/tsw.2002.343 |
Ejemplares similares
-
QSAR and molecular docking for the search of AOX inhibitors: a rational drug discovery approach
por: Rosell-Hidalgo, Alicia, et al.
Publicado: (2020) -
QSAR‐Based Estimation of Species Sensitivity Distribution Parameters: An Exploratory Investigation
por: Hoondert, Renske P.J., et al.
Publicado: (2019) -
Theoretical Exploring Selective-Binding Mechanisms of JAK3 by 3D-QSAR, Molecular Dynamics Simulation and Free Energy Calculation
por: Zhu, Jingyu, et al.
Publicado: (2020) -
QSAR-driven rational design of novel DNA methyltransferase 1 inhibitors
por: Phanus-umporn, Chuleeporn, et al.
Publicado: (2020) -
Hydrogen Bonding in Human P450-Substrate Interactions: A Major Contribution to Binding Affinity
por: Lewis, David F.V.
Publicado: (2004)