PRinS3 streamlines drug discovery with specialized apps. Customize your approach for optimal efficiency and success.


  • Explore the deep learning-based generative chemistry app to broaden the chemical search space in drug discovery
  • No protein structure? No worries! PRinS3 employs advanced algorithms to generate 3D structures from amino acid sequences.
  • Screen multiple compounds against various target proteins simultaneously
  • Harness High-Performance Computing seamlessly with PRinS3 - your solution for the cloud or on-premise


Refine and model biological targets fetched from RCSB. Model your protein from sequence and alpha fold database.


Build extensive compound datasets for screening from public databases such as ChEMBL, UniProt, and the natural compound database COCONUT DB. Associate these compounds with targets from UniProtKB/Swiss-Prot, enabling seamless molecule discovery through integrated databases and target-based searches.


Utilize this deep learning-based generative chemistry application to expand the chemical landscape, generating millions of novel drug-like molecules for your research.


This structure-based application screens multiple compounds against multiple target proteins using a high-throughput virtual process, harnessing the power of cloud computing.


This state-of-the-art application simultaneously screens numerous ligands against multiple protein targets through docking, refining the selection with molecular dynamics simulations and free energy calculations. Our advanced physics-based high-throughput quantitative tool is designed to identify optimal compounds for further synthesis.


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Dr. L.A. Rama Chandra Prasad

Associate Professor, School of Sciences, R&D Director

Garden City University, Bengaluru

PRinS3's support team is exceptional, offering invaluable expertise in computational chemistry and drug design. Their guidance has enhanced our use of the platform significantly. Additionally, attending an in-person workshop led by the PRinS3 team greatly benefited our research efforts.

Dr. Neelanjana Sengupta,

Assistant Professor, Dept. of Biological Sciences

IISER Kolkata

The PRinS3 suite is a versatile molecular docking software that systematically teaches and enables users for biomolecular computations. It is a great resource for teaching purposes, and can seamlessly accompany advanced lectures in molecular dynamics courses. It is strongly recommended as a pedagogical and research tool for learners and research groups alike.

Dr. Pronama Biswas

Assistant Professor of Genetics

Dayanand Sagar, University, Bengaluru

The AI-powered platform provides a seamless solution from docking simulations to molecular dynamics validation all in one place. This streamlined process has greatly enhanced our research efficiency and accuracy. I highly recommend it to researchers looking for comprehensive drug discovery solutions.

Dr. Semanti Ghosh

Assistant Professor, Department of Biotechnology

Swami Vivekananda University, Kolkata

PRinS3's deep learning-based AI is truly impressive, revolutionizing how I explore vast chemical spaces. With my teaching license, PRinS3's integration of virtual screening with simulations has transformed my classroom. It simplifies complexities, engages students with advanced scientific concepts, and sparks a deeper passion for discovery.

Frequently Asked Questions

PRinS3 is a cutting-edge platform harnessing artificial intelligence, physics-based modeling, and cloud computing to streamline and accelerate drug discovery. It provides powerful tools for target identification, molecule design, virtual screening, and property prediction.

PRinS3 stands apart due to its:
• AI-driven capabilities: Facilitating faster insights and novel lead generation
• Physics-based foundation: Ensuring predictions grounded in scientific principles
• High-throughput design: Allowing large-scale simulations and rapid screening.
• Focus on customization: Adapting solutions to address industry-specific challenges

PRinS3 is remarkably OS-agnostic, compatible with Linux and Windows. Specific hardware requirements (CPU, GPU, RAM) may vary depending on the computational study but the minimum requirement would be an i5 Intel processor with 8 GB of RAM and 20 GB of storage. For details, please contact Prescience support.

Yes! Please fill out the "Request for Demo" form on the Prescience Insilico website to explore PRinS3's features.

Prescience Insilico takes data security very seriously. PRinS3 employs robust security measures and can be deployed on-premises or on a secure cloud infrastructure based on your preference. Contact us for specifics about our security protocols.

Yes, PRinS3 offers solutions for target identification and validation, helping you explore novel pathways and disease mechanisms.

PRinS3 features AI models trained on large datasets of molecular structures. These models generate new, chemically viable molecules with enhanced potential for desired biological activity.

Prescience offers flexible pricing models to fit your needs. You can choose from license-based pricing or pay-per-use options. Contact sales for personalized pricing information.

Prescience provides dedicated technical support throughout your PRinS3 journey. Our team will assist you with installation, onboarding, and addressing any technical queries.

PRinS3 delivers solutions tailored for Pharmaceutical Companies & University labs working on drug discovery and computational biology projects.

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Case Studies