Molecular Modeling and Simulation
“USD 2.6 billion is the estimated R&D cost of a successful drug.”
Declining R&D productivity is forcing organizations to think outside the box. Relying on physical experimentation alone is no longer economically sustainable.
Molecular Modeling and Simulation enables researchers to test biomolecular systems in silico and understand the fundamental atomic interactions supporting product performance.
Unlock innovation with minimum risk and lower costs. Create better performing, safer and cost-effective products, leading to faster, better patient outcomes.
Can you identify a hypothesis in advance of physical testing?
At the search of a new lead, identifying active sites and describing the interactions that affect ligand binding is difficult and time-consuming.
Molecular modeling and simulation techniques help researchers to better understand the interplay between targets and candidates and provide key insights to improve drug design.
- 22–28% reduction in lead optimization projects
How can you accelerate lead optimization?
With BIOVIA Discovery Studio, enhance the most promising candidates without the synthesis of hundreds of compounds.
Leverage an in silico model-based approach and ML-driven generative methods to create and suggest new candidates for lab testing faster.
Molecular modeling and simulation improve R&D productivity and optimize overall drug performance.
- 30 – 50% reduction in compounds to synthesize
Download “Integrating Predictive Sciences” White Paper
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