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What is XPS (eXtended Particle Simulations)?

XPS, which stands for eXtended Particle Simulations, is an innovative simulation tool based on the Discrete Element Method, developed by RCPE and distributed globally by InSilicoTrials, specifically designed for high-accuracy simulations of particle-based processes. This software is especially advantageous for the pharmaceutical industry, as it facilitates precise predictions of the behavior of powders and granular materials, thus providing teams with critical insights and improving the management of pharmaceutical unit operations. By employing advanced contact models, XPS effectively describes the flow dynamics of granular materials and utilizes highly parallel algorithms optimized for modern GPUs, allowing for the simulation of up to 100 million particles in a fraction of the time. The unparalleled detail offered in process configuration evaluations enables pharmaceutical engineers to explore decision-making scenarios in a virtual environment, significantly reducing the reliance on costly and time-consuming physical experiments while promoting data-centric strategies for process development. Consequently, this cutting-edge software not only enhances operational efficiency but also deepens the understanding of material behaviors in pharmaceutical manufacturing settings, fostering innovation and improving overall production processes. Additionally, XPS's capabilities pave the way for future advancements in simulation technology within the industry, ensuring that teams remain at the forefront of pharmaceutical research and development.

What is NAMD?

NAMD stands as a high-performance parallel molecular dynamics software designed explicitly for simulating large biomolecular systems. It employs Charm++ parallel objects, enabling it to scale effectively from everyday personal computers to sophisticated parallel systems, handling hundreds of cores for typical simulations and even surpassing 500,000 cores for the most complex scenarios. This software is crafted for scientists focused on executing efficient simulations of extensive molecular systems while ensuring it integrates seamlessly with widely used molecular modeling workflows. NAMD works in conjunction with the renowned molecular graphics tool VMD, facilitating both the setup of simulations and the analysis of trajectories, while ensuring compatibility with file formats from AMBER, CHARMM, and X-PLOR. Additionally, it is meticulously designed to support biomolecular simulations involving proteins, membranes, nucleic acids, solvents, ions, and various other molecular entities, thereby allowing for a detailed investigation of atomic interactions and dynamic processes over time. Researchers can thus depend on NAMD for valuable insights into the complexities of molecular dynamics, ultimately enhancing their understanding of the underlying biological mechanisms at play.

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

Free
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

InSilicoTrials

Date Founded

2016

Company Location

United States

Company Website

insilicotrials.com/xps/

Company Facts

Organization Name

Theoretical and Computational Biophysics Group

Date Founded

2006

Company Location

United States

Company Website

www.ks.uiuc.edu/Research//namd/

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