GOLD in the Cloud Advances Biociences

in-silico methods for drug discovery
Drug Discovery leveraging in-silico methods and GOLD docking software

 

Drug Discovery is transforming: economic pressures on drug design and development continue to accelerate the shift to in-silico first approaches, and cloud computing offers the unprecedented flexibility and scalability to power such solutions. As a result, researchers can leverage the predictive powers of classical modeling and experimental data analysis to unlock therapeutic innovation more efficiently than ever. In this new era of digital continuity and collaboration, the lines between computational and medicinal chemistry are blurred. Dassault Systèmes BIOVIA brings it all together on the 3DEXPERIENCE® platform: the science of classical modeling, the predictive power of AI and the connection to research laboratories.

Seamless in-silico Workflows

At BIOVIA, we recognize that the transformation to in-silico first requires best-of-breed computational models. But most importantly, it requires the orchestration of these models in seamless workflows that deliver science. Many biopharmaceutical organizations are already moving from discrete classical modeling applications to more complete and unified solutions. To accelerate this transformation and deliver the best scientific outcomes, we are proud to announce a strategic partnership with the Cambridge Crystallographic Data Centre (CCDC). Through this partnership, Dassault Systèmes has secured the exclusive rights to distribute the CCDC GOLD docking application in the cloud, as part of the 3DEXPERIENCE platform.

Best-in-class Docking Software

By bringing to the platform a world-class partner such as CCDC, we are paving the way to the future of Drug Discovery. CCDC’s GOLD protein-ligand docking software identifies the binding modes of active molecules—supporting the life sciences industry with proven success in virtual screening and lead optimization. GOLD supports single, detailed, high-accuracy and virtual compound library docking into the binding site of target proteins. It then ranks and prioritizes the compounds by their likelihood of binding. GOLD is highly regarded within the molecular modeling community for its accuracy, reliability, flexibility and configurability. By integrating GOLD with BIOVIA’s industry-leading Therapeutics Design software, we are now providing a complete portfolio of therapeutics modeling technology on the 3DEXPERIENCE platform.

GOLD docking
A preview of GOLD on the 3DEXPERIENCE platform showing the COVID-19 main protease and its defined binding site, ready for virtual screening.

An Example – Generative Therapeutics Design

To illustrate how it all comes together, look no further than our own Generative Therapeutics Design software. It is an in-silico first solution that combines reinforcement learning with structured-based modeling to discover new lead candidates. This disruptive solution will now leverage the full docking power of GOLD and advanced machine learning. It helps guide the exploration of the chemical space in search of compounds to meet a user-defined target. The solution enables Medicinal Chemists to reduce significantly the number of lab experiments and accelerates the “Design-Make-Test-Analyze” cycles.

Moving to the Cloud

The power of the cloud sits under the hood of our next-generation 3DEXPERIENCE offering for Drug Discovery. GOLD has long been available within Dassault Systèmes’ Discovery Studio, one of the most comprehensive modeling environments for therapeutics design. Our new strategic partnership with CCDC brings this environment to the cloud. It is a technological evolution that enables users to leverage the full flexibility and scalability of cloud computing to accelerate drug discovery. It also stands for a business model transformation with usage-based pricing. By embracing a Software-as-a-Service (SaaS) model, we provide our customers with an attractive entry price, which then scales with the value delivered.

The strategic partnership between BIOVIA and CCDC makes the future a reality by providing a complete cloud-based platform for “in-silico first” drug discovery. It enables pharmaceutical companies of all sizes to innovate better and faster. Learn how GOLD on the 3DEXPERIENCE platform can improve your drug discovery workflow.

 

Fabrice Hoerner

Fabrice is in strategy and business development at Dassault Systemes BIOVIA. He has 16 years of experience bringing new technologies to market. Prior to joining BIOVIA, he worked on the Internet of Things, artificial intelligence and augmented reality for a large semiconductor company. He holds an MBA from the University of Chicago Booth School of Business, and a Master of Science from Supelec.

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