LigandScout Icon

LigandScout

Allow you to rapidly and transparently derive 3D pharmacophores.

LigandScoutOverview

LigandScout is a software tool that allows to rapidly and transparently Derive 3D pharmacophores from structural data of macromolecule/ligand complexes in a fully automated and convenient way.

The algorithms are scientifically published [1-4] and based on several years of experience in pharmacophore creation, while the application corresponds to state-of-the-art information technology. Support for various common pharmacophore formats like the export to Catalysttm, MOEtm or Phasetm guarantee maximum interoperability to screening platforms.

Program features
Automatic interpretation of PDB ligands using geometry, dictionaries and rules
State-of-the-art user interface with advanced 3D graphics and undo-function
2D view and hierarchical view directly linked to 3D interface
Fast alignment of molecules in their bio-active conformation to other molecules and 3D pharmacophores from several ligands and/or pharmacophores, shared feature pharmacophores can be derived to understand and model the relevant mode of action
Advanced handling of co-factors, ions, water molecules and covalently bound ligands
Pharmacophore export to Catalyst(tm), MOE(tm) and Phase(tm) for virtual screening
Extensive parameter control for more experienced users
Advanced PDB ligand perception and easy manual correction while modeling in the active site
Ability to treat co-factors and water molecules as part of the ligand or part of the macromolecule
Intuitive pharmacophore-based alignment of molecules
Support for most common file formats
Sophisticated file and repository management of edited and stored binding sites, molecules and pharmacophores

NEW

Fixed some bugs.

LigandScoutInformation

Version
3.0
Date
06.02.10
License
Trial
Language
English
File Size
170MB
Category
SubCategory
Operating Systems
Windows Vista, XP
System Requirements
No additional system requirements.
LigandScout for Mac Icon
Allow you to rapidly and transparently derive 3D pharmacophores.
Trial
LigandScout for Linux Icon
Allow you to rapidly and transparently derive 3D pharmacophores.
Trial
More
Adobe PageMaker Icon
Create high-quality publications such as brochures and newsletters.
Demo
Trapcode Form Icon
All in a single 3D surface generator.
Demo
Trapcode Starglow Icon
Give ordinary highlights a dazzling,sparkling effect.
Demo
PrintMaster Express Icon
PrintMaster Express lets you add personality and flair to any occasion.
Free
Pixie Icon
Pixie is a colour picker that includes a mouse tracker.
Free
Calendar Wizard for CorelDRAW 12 Icon
Add-on for CorelDRAW 12, create calendar layout right in CorelDRAW documents
Trial
MikuMikuDance (MMD) Icon
Choreograph and create 3D animation movies with music.
Free
Photoshop CS5 Optional Plugins Icon
system requirements for Adobe Creative Suite 5 software or Photoshop CS5
Free
More