Use GNINA
Official Neurosnap webserver for accessing GNINA online.
Overview
GNINA is an open-source molecular docking tool that integrates convolutional neural networks (CNNs) to enhance the accuracy of protein-ligand binding predictions. By leveraging deep learning, GNINA improves pose prediction and scoring, facilitating more reliable virtual screening and drug discovery processes.
Neurosnap Overview
The GNINA online webserver allows anybody with a Neurosnap account to run and access GNINA, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong terms of service and privacy policy.
View PaperFeatures
- Integrates CNNs for improved scoring and optimization of ligand binding poses.
- Outperforms traditional docking tools like AutoDock Vina in pose prediction accuracy.
- Supports flexible receptor docking to account for protein flexibility during ligand binding.
- Offers customizable scoring functions, including empirical and machine learning-based options.
Statistics
Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.
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API Request
Access GNINA using the Neurosnap API by sending a request using any programming language with HTTP support. To safely generate an API key, visit the API tab of your overview page.
Job Note
Provide a name or description for your job to help you organize and track its results. This input is solely for organizational purposes and does not impact the outcome of the job.
Configuration & Options
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