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Description
LigPlot+ serves as the advanced iteration of the original LIGPLOT software, designed for the automatic creation of 2D diagrams depicting ligand-protein interactions. This tool features a user-friendly Java interface that enables users to edit plots effortlessly through simple mouse click-and-drag actions. Besides the improved interface, LigPlot+ introduces several significant upgrades compared to its predecessor. When analyzing two or more ligand-protein complexes that share notable similarities, the software can automatically present their interaction diagrams either overlayed or side by side, with conserved interactions prominently highlighted for easy identification. Additionally, the LigPlot+ suite integrates an enhanced version of the original DIMPLOT program, which is focused on visualizing protein-protein or domain-domain interactions. Users have the flexibility to choose the specific interface they are interested in, allowing DIMPLOT to produce a detailed diagram that illustrates the residue-residue interactions within that interface. For further clarity in interpretation, the residues from one interface can also be displayed in their sequential order, enhancing the overall usability and functionality of the program. This comprehensive approach makes LigPlot+ a valuable tool for researchers seeking to understand complex molecular interactions more intuitively.
Description
QSimulate presents an array of quantum simulation platforms that harness the principles of quantum mechanics to address intricate, large-scale challenges in life sciences and materials science. The QSP Life platform introduces innovative quantum-enhanced techniques for drug discovery and optimization, facilitating pioneering quantum simulations of ligand-protein interactions that are relevant throughout the entire computational drug discovery journey. Meanwhile, the QUELO platform enables hybrid quantum/classical free energy calculations, empowering users to conduct relative free energy assessments via the free energy perturbation (FEP) method. Furthermore, QSimulate's advancements enable significant progress in quantum mechanics/molecular mechanics (QM/MM) simulations tailored for extensive protein modeling. In the realm of materials science, the QSP Materials platform opens up quantum mechanical simulations to a broader audience, allowing experimentalists to streamline complex workflows without requiring specialized expertise, ultimately fostering greater innovation in the field. This democratization of technology marks a pivotal shift in how researchers can approach and solve scientific problems.
API Access
Has API
API Access
Has API
Integrations
No details available.
Integrations
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Pricing Details
No price information available.
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
EMBL-EBI
Country
United Kingdom
Website
www.ebi.ac.uk/thornton-srv/software/LigPlus/
Vendor Details
Company Name
QSimulate
Country
United States
Website
qsimulate.com/home
