“The Space of Potential Molecules is Gigantic” — Says Head of Computer-aided Drug Design at Johnson & Johnson

Insider Brief

• At the Pasqal Thoughts 2024 event, experts from Johnson & Johnson and Qubit Pharma discussed how quantum computing could revolutionize drug discovery by navigating vast chemical spaces and improving molecular simulations.
• Quantum technology’s potential to enhance both accuracy and speed in understanding complex biological systems was highlighted as crucial for advancing drug development.
• The panel underlined the importance of collaboration between pharma companies and quantum computing experts to unlock the full potential of this transformative technology.

The Pasqal Thoughts 2024 event hosted a fascinating panel discussion on the transformative impact of quantum computing in the pharmaceutical industry. Herman van Vlijmen from Johnson & Johnson and Robert Marino of Qubit Pharma shared their thoughts into how quantum technology is poised to disrupt drug discovery and development.

Van Vlijmen, head of Computer-Aided Drug Design at Johnson & Johnson, opened the discussion by describing the immense potential quantum computing holds for early-stage drug discovery. “The space of potential molecules is gigantic,” he explained, noting that traditional methods are reaching their limits due to the sheer volume of possibilities. “We need some other solution if we really want to get those best starting points,” van Vlijmen added, stressing the need for more advanced computational tools to navigate this vast chemical space.

Marino, CEO of Qubit Pharma, echoed these sentiments, focusing on the role of quantum computing in understanding complex biological systems. 

“Having a clear understanding of the 3D structure and even 4D structure of the protein that you want to modulate is key,” Marino said. He described how Qubit Pharma is working with Pasqal to improve the positioning of water molecules in protein cavities, which could significantly impact the design of effective drugs. “We see Quantum as the next frontier,” Marino stated, noting the limitations of current technologies and the opportunities quantum computing presents.

Both experts agreed on the critical balance between accuracy and speed in drug discovery. “Accuracy is key,” Marino emphasized, “but you also need speed because drug discovery is about big numbers.” Van Vlijmen concurred, adding: “Speed is really important… but we cannot sacrifice accuracy because that would lead to wrong predictions and wasted resources.”

The panelists also discussed the energy efficiency of quantum computing compared to classical methods. 

“We want efficient computing,” Marino noted, highlighting the potential of quantum technology to reduce the computational footprint while maintaining high performance. Van Vlijmen pointed out that molecular simulations are particularly energy-intensive and slow, suggesting that quantum computing could offer significant improvements in this area.

The discussion concluded with both experts stressing the importance of collaboration in advancing quantum applications in pharma. “Collaboration here is, at least for us, really a crucial part,” van Vlijmen said, underscoring the need for partnerships between pharmaceutical companies and quantum computing experts.

As quantum technology continues to evolve, its integration into pharmaceutical research and development could dramatically accelerate the discovery of new treatments, making the future of healthcare both more efficient and more precise.

Featured image: Credit: Johnson & Johnson