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Description
Ascalaph Designer is a versatile software designed for conducting molecular dynamic simulations. It integrates various implementations of molecular dynamics alongside classical and quantum mechanics methodologies from widely-used programs within a unified graphical interface. The software includes molecular geometry optimization utilizing conjugate gradient techniques. Molecular models are displayed in distinct windows, each equipped with dual camera views that enable simultaneous visualization from multiple angles and in various graphic representations. Users can easily open additional subwindows by adjusting the splitter located in the corner of each graphical display. By clicking an atom or bond with the left mouse button, users can slightly alter its color, and relevant information about the selected object is presented in the status bar. The wire-frame visualization style proves especially effective for large molecules, such as proteins, ensuring rapid rendering. Additionally, the CPK wire frame style effectively merges characteristics from several other visualization options, enhancing user experience. This program not only facilitates complex simulations but also significantly improves the analysis of molecular structures through its innovative display features.
Description
Site-Identification by Ligand Competitive Saturation (SILCS) produces three-dimensional maps, known as FragMaps, that illustrate how different chemical functional groups interact with a specific target molecule. By revealing the complexities of molecular dynamics, SILCS offers tools that enhance the optimization of ligand scaffolds through both qualitative and quantitative insights into binding pockets, thereby streamlining the drug design process. This approach employs a range of small molecule probes, each featuring diverse functional groups, alongside explicit solvent modeling and accommodating the flexibility of the target molecule to effectively map protein targets. Furthermore, the technique allows researchers to visualize advantageous interactions with the target macromolecule. With these insights, scientists can strategically design improved ligands with functional groups situated in optimal positions for enhanced efficacy. The innovative nature of SILCS represents a significant advancement in the field of medicinal chemistry.
API Access
Has API
API Access
Has API
Integrations
No details available.
Integrations
No details available.
Pricing Details
Free
Free Trial
Free Version
Pricing Details
No price information available.
Free Trial
Free Version
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Vendor Details
Company Name
Agile Molecule
Country
Sweden
Website
www.biomolecular-modeling.com/Ascalaph/Ascalaph_Designer.html
Vendor Details
Company Name
SilcsBio
Founded
2012
Country
United States
Website
silcsbio.com/software/