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Description
GROMACS is an open-source software suite that excels in high-performance molecular dynamics and analysis of outputs. This adaptable tool is capable of simulating the Newtonian equations of motion for systems ranging from hundreds to millions of particles, emphasizing materials modeling, biomolecular simulations, and particle-based systems. Although GROMACS is primarily aimed at biochemical molecules like proteins, lipids, and nucleic acids—which often exhibit complex bonded interactions—its remarkable speed in computing nonbonded interactions renders it beneficial for studying non-biological systems, including polymers. The software is capable of modeling particle ensembles in various states, including liquid, solid, and gas, and it accommodates a diverse array of molecular dynamics workflows, from fundamental energy minimization and equilibration to in-depth production simulations and trajectory analysis. Furthermore, GROMACS continues to evolve, incorporating new features and enhancements that broaden its applicability across different scientific disciplines.
Description
SYNTHIA™ Retrosynthesis software, developed by computer scientists and coded by chemists, allows scientists to quickly and easily navigate novel and innovative pathways for novel and previously published target molecules.
You can quickly and efficiently scan hundreds pathways to identify the best options for your needs.
Discover the most cost-effective route to your target molecule with the latest visualization and filtering features.
You can easily customize the search parameters to eliminate or highlight reactions, reagents, or classes of molecules.
Explore innovative and unique syntheses to build your desired molecule.
Easy to generate a list for starting materials that are commercially available for your synthesis.
ISO/IEC 27001 Information Security Certification will guarantee the confidentiality, integrity and protection of your data.
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
€0 / 30 days
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
GROMACS
Country
United States
Website
www.gromacs.org
Vendor Details
Company Name
Merck KGaA
Founded
1668
Country
Germany
Website
www.synthiaonline.com