BIOVIA Discovery Studio

BIOVIA Discovery Studio is a comprehensive modeling and simulation platform developed by Dassault Systèmes, designed for life sciences researchers engaged in drug discovery and development. Built on over 30 years of peer-reviewed research, it brings together world-class in silico techniques — including molecular mechanics, free energy calculations, and biotherapeutics developability tools — into a single, unified environment. The platform is aimed at computational chemists and computational structural biologists who need to explore protein chemistry and accelerate the discovery of both small and large molecule therapeutics, from Target Identification through to Lead Optimization.

The biopharmaceutical industry faces growing complexity driven by demands for improved drug specificity and safety, novel treatment classes, and increasingly intricate disease mechanisms. BIOVIA Discovery Studio addresses this challenge by enabling researchers to explore biological and physicochemical processes at the atomic level, guiding physical experimentation and accelerating the overall discovery and development process.

Molecular Dynamics Simulations

• State-of-the-art protocols for molecular dynamics simulations
• Enables detailed exploration of molecular behavior and conformational dynamics
• Supports free energy calculations for rigorous thermodynamic analysis

Structure-Based and Fragment-Based Design

• Comprehensive and scalable portfolio of scientific tools for structure-based drug design
• Supports fragment-based design approaches to identify and optimize drug candidates
• Enables researchers to engineer novel therapeutics with desired safety profiles

Ligand- and Pharmacophore-Based Design

• De novo drug design capabilities for generating novel molecular scaffolds
• Multi-target drug design tools to address complex disease mechanisms
• Activity profiling to evaluate and compare compound libraries

Biotherapeutics and Antibody Modeling

• Rich set of in silico tools specifically supporting the design of biotherapeutics
• Antibody modeling capabilities to support large molecule drug discovery
• Tools for assessing biotherapeutics developability early in the research process

Macromolecule Design and Analysis

• Comprehensive portfolio of validated scientific tools covering every aspect of macromolecule-based research
• Supports the design and analysis of proteins and other large biological molecules
• Enables engineering of stable and optimized novel biotherapeutics

QSAR, ADMET, and Predictive Toxicology

• Tools for designing therapeutics with favorable pharmacokinetic properties
• Predictive toxicology capabilities to assess and improve compound safety profiles
• ADMET modeling to evaluate absorption, distribution, metabolism, excretion, and toxicity early in discovery

Molecular Visualization

• Free, feature-rich molecular visualizer available as part of the Discovery Studio suite
• Enables intuitive 3D visualization of molecular structures and simulation results
• Accessible to researchers at all levels for reviewing and communicating findings

BIOVIA Discovery Studio is part of the broader Dassault Systèmes BIOVIA portfolio, which also includes BIOVIA Generative Therapeutics Design for AI-driven drug design and BIOVIA Pipeline Pilot for scientific data processing. Training resources are available for students, academics, and industry professionals, and dedicated support services are provided to assist with software deployment and usage across organizations of every size.