Source 1primary paper2020Wiley Interdisciplinary Reviews Computational Molecular Science
Toolkit/3D pharmacophore modeling
3D pharmacophore modeling
Also known as: 3D pharmacophore models
Taxonomy: Technique Branch / Method. Workflows sit above the mechanism and technique branches rather than replacing them.
Summary
3D pharmacophore models are three-dimensional ensembles of chemically defined interactions of a ligand in its bioactive conformation.
Usefulness & Problems
No literature-backed usefulness or problem-fit explainer has been materialized for this record yet.
Taxonomy & Function
Primary hierarchy
Technique Branch
Method: A concrete computational method used to design, rank, or analyze an engineered system.
Target processes
recombinationselectionInput: Chemical
Validation
Cell-freeBacteriaMammalianMouseHumanTherapeuticIndep. Replication
Supporting Sources
Ranked Claims
3D pharmacophore models are applied in virtual screening and mechanistic studies for protein functionality.
we provide an overview on the basic concept of this method and summarize key studies for applying 3D pharmacophore models in virtual screening and mechanistic studies for protein functionality
3D pharmacophore models are three-dimensional ensembles of chemically defined interactions of a ligand in its bioactive conformation.
3D pharmacophore models are three-dimensional ensembles of chemically defined interactions of a ligand in its bioactive conformation.
3D pharmacophore modeling is a vibrant field with various applications in drug discovery and beyond.
The recent developments show that 3D pharmacophore modeling is a vibrant field with various applications in drug discovery and beyond.
Combining 3D pharmacophore models with molecular dynamics simulations could substantially improve the approach by capturing dynamic macromolecule-ligand interactions and more physiologically relevant interaction patterns.
The combination of 3D pharmacophore models with molecular dynamics simulations could be a quantum leap forward since these approaches consider macromolecule-ligand interactions as dynamic and therefore show a physiologically relevant interaction pattern.
Recent developments in 3D pharmacophore modeling include use of pharmacophore information in machine learning and artificial intelligence applications and freely accessible web servers.
Other trends include the efficient usage of 3D pharmacophore information in machine learning and artificial intelligence applications or freely accessible web servers for 3D pharmacophore modeling.
3D pharmacophore models are a valuable tool in drug design because they help decipher chemically encoded ligand information.
They represent an elegant way to decipher chemically encoded ligand information and have therefore become a valuable tool in drug design.
Approval Evidence
1 source6 linked approval claimsfirst-pass slug 3d-pharmacophore-modeling
3D pharmacophore models are three-dimensional ensembles of chemically defined interactions of a ligand in its bioactive conformation.
Source:
applicationsupports
3D pharmacophore models are applied in virtual screening and mechanistic studies for protein functionality.
we provide an overview on the basic concept of this method and summarize key studies for applying 3D pharmacophore models in virtual screening and mechanistic studies for protein functionality
Source:
definitionsupports
3D pharmacophore models are three-dimensional ensembles of chemically defined interactions of a ligand in its bioactive conformation.
3D pharmacophore models are three-dimensional ensembles of chemically defined interactions of a ligand in its bioactive conformation.
Source:
field assessmentsupports
3D pharmacophore modeling is a vibrant field with various applications in drug discovery and beyond.
The recent developments show that 3D pharmacophore modeling is a vibrant field with various applications in drug discovery and beyond.
Source:
future directionsupports
Combining 3D pharmacophore models with molecular dynamics simulations could substantially improve the approach by capturing dynamic macromolecule-ligand interactions and more physiologically relevant interaction patterns.
The combination of 3D pharmacophore models with molecular dynamics simulations could be a quantum leap forward since these approaches consider macromolecule-ligand interactions as dynamic and therefore show a physiologically relevant interaction pattern.
Source:
trendsupports
Recent developments in 3D pharmacophore modeling include use of pharmacophore information in machine learning and artificial intelligence applications and freely accessible web servers.
Other trends include the efficient usage of 3D pharmacophore information in machine learning and artificial intelligence applications or freely accessible web servers for 3D pharmacophore modeling.
Source:
utilitysupports
3D pharmacophore models are a valuable tool in drug design because they help decipher chemically encoded ligand information.
They represent an elegant way to decipher chemically encoded ligand information and have therefore become a valuable tool in drug design.
Source:
Comparisons
No literature-backed comparison notes have been materialized for this record yet.
Ranked Citations
- 1.