Related Products
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About
LigPlot+ is a successor to our original LIGPLOT program for the automatic generation of 2D ligand-protein interaction diagrams. It is run from an intuitive java interface that allows on-screen editing of the plots via mouse click-and-drag operations. In addition to the new interface, the program includes several major enhancements over the old version. When two or more ligand-protein complexes are sufficiently similar, LigPlot+ can automatically display their interaction diagrams either superposed or side by side. Any conserved interactions are highlighted. The LigPlot+ suite also now includes an update of the original DIMPLOT program for plotting protein-protein or domain-domain interactions. Users can flexibly select the interface of interest and DIMPLOT will then generate a diagram showing the residue-residue interactions across the interface. To assist in interpretation, the residues in one of the interfaces can be optionally displayed in sequence order.
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About
The core of extensible programming is defining functions. Python allows mandatory and optional arguments, keyword arguments, and even arbitrary argument lists. Whether you're new to programming or an experienced developer, it's easy to learn and use Python. Python can be easy to pick up whether you're a first-time programmer or you're experienced with other languages. The following pages are a useful first step to get on your way to writing programs with Python! The community hosts conferences and meetups to collaborate on code, and much more. Python's documentation will help you along the way, and the mailing lists will keep you in touch. The Python Package Index (PyPI) hosts thousands of third-party modules for Python. Both Python's standard library and the community-contributed modules allow for endless possibilities.
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About
QSimulate offers a suite of quantum simulation platforms that leverage quantum mechanics to solve complex, industrial-scale problems in life sciences and materials science. The QSP Life platform provides unique quantum-powered methods for drug discovery and optimization, enabling first-of-a-kind quantum simulations of ligand-protein interactions applicable throughout the computational drug discovery process. The QUELO platform performs hybrid quantum/classical free energy calculations, offering users the ability to run relative free energy calculations using the free energy perturbation (FEP) approach. Additionally, QSimulate's technology enables groundbreaking advances in quantum mechanics/molecular mechanics (QM/MM) simulations for large protein modeling. For materials science, the QSP Materials platform democratizes quantum mechanical simulations, allowing experimentalists to automate complex workflows without the need for specialization.
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Audience
Labs and researchers interested in a solution to create and visualize ligand-protein interaction diagrams
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Audience
Developers interested in a beautiful but advanced programming language
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Audience
Computational chemists and materials scientists in search of a solution to accelerate drug discovery and materials development through automated, scalable, and high-fidelity modeling
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Support
Phone Support
24/7 Live Support
Online
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Support
Phone Support
24/7 Live Support
Online
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Support
Phone Support
24/7 Live Support
Online
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API
Offers API
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API
Offers API
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API
Offers API
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Pricing
No information available.
Free Version
Free Trial
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Pricing
Free
Free Version
Free Trial
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Pricing
No information available.
Free Version
Free Trial
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Reviews/
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Reviews/
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Reviews/
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Training
Documentation
Webinars
Live Online
In Person
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Training
Documentation
Webinars
Live Online
In Person
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Training
Documentation
Webinars
Live Online
In Person
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Company InformationEMBL-EBI
United Kingdom
www.ebi.ac.uk/thornton-srv/software/LigPlus/
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Company InformationPython
Founded: 1991
www.python.org
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Company InformationQSimulate
United States
qsimulate.com/home
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Integrations
APIFuzzer
Codeaid
Cosine Genie
DataChain
Flask
Gemini 2.0 Flash-Lite
Glipper
Google Cloud Universal Ledger
IronPython
Kontra
|
Integrations
APIFuzzer
Codeaid
Cosine Genie
DataChain
Flask
Gemini 2.0 Flash-Lite
Glipper
Google Cloud Universal Ledger
IronPython
Kontra
|
Integrations
APIFuzzer
Codeaid
Cosine Genie
DataChain
Flask
Gemini 2.0 Flash-Lite
Glipper
Google Cloud Universal Ledger
IronPython
Kontra
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