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What is QSimulate?

QSimulate offers a variety of quantum simulation platforms that utilize quantum mechanics to tackle complex, large-scale challenges in both life sciences and materials science. The QSP Life platform incorporates groundbreaking quantum-enhanced methods for drug discovery and optimization, allowing for advanced quantum simulations of ligand-protein interactions that are essential throughout the entire computational drug discovery process. In addition, the QUELO platform supports hybrid quantum/classical free energy calculations, giving users the ability to perform relative free energy evaluations using the free energy perturbation (FEP) technique. Moreover, QSimulate's innovations contribute to substantial advancements in quantum mechanics/molecular mechanics (QM/MM) simulations, which are specifically designed for comprehensive protein modeling. In the field of materials science, the QSP Materials platform democratizes access to quantum mechanical simulations, enabling researchers without specialized knowledge to efficiently navigate complex workflows, thereby promoting enhanced innovation. This shift toward accessible technology signifies a crucial transformation in the methodologies researchers can employ to tackle scientific inquiries, ultimately broadening the horizons for future discoveries.

What is LigPlot+?

LigPlot+ is the upgraded version of the original LIGPLOT software, tailored for the automatic generation of 2D illustrations that represent ligand-protein interactions. With its intuitive Java interface, users can easily modify plots by utilizing simple click-and-drag movements, which simplifies the editing process significantly. In addition to the enhanced interface, LigPlot+ boasts numerous important improvements over its earlier version. When examining multiple ligand-protein complexes that exhibit key similarities, the software can automatically generate interaction diagrams that can be displayed either overlapped or side by side, with conserved interactions highlighted for straightforward recognition. Furthermore, the LigPlot+ package includes an improved variant of the original DIMPLOT program, which specializes in visualizing interactions between proteins or domains. Users can select the specific interface of interest, allowing DIMPLOT to create an intricate diagram that maps out the residue-residue interactions within that chosen interface. For added clarity, residues from one interface can also be shown in sequential order, which enhances the usability and overall functionality of the tool. This thorough approach not only aids researchers in comprehending intricate molecular interactions more intuitively but also promotes a deeper understanding of the underlying biological processes at play. Overall, LigPlot+ stands out as an essential resource for scientists delving into the complexities of molecular interactions.

Media

Media

Integrations Supported

Additional information not provided

Integrations Supported

Additional information not provided

API Availability

Has API

API Availability

Has API

Pricing Information

Pricing not provided.
Free Trial Offered?
Free Version

Pricing Information

Pricing not provided.
Free Trial Offered?
Free Version

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Company Facts

Organization Name

QSimulate

Company Location

United States

Company Website

qsimulate.com/home

Company Facts

Organization Name

EMBL-EBI

Company Location

United Kingdom

Company Website

www.ebi.ac.uk/thornton-srv/software/LigPlus/

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