QuantumBio Contributes Two Chapters to “Computational Drug Discovery: Methods and Applications”

We are thrilled to announce that QuantumBio contributed two chapters to the new Wiley Online Library released book “Computational Drug Discovery: Methods and Applications” by editors Vasanthananthan Poongavanam and Vijayan Ramaswamy.

About the Book: “Computational Drug Discovery: Methods and Applications

Computational Drug Discovery: Methods and Applications” provides a comprehensive overview of cutting-edge computational technologies and methods driving innovation in drug discovery. With a focus on recent advances, including artificial intelligence (AI), quantum computing, and cloud computing, this two-volume set covers a wide array of computational approaches transforming the field of drug discovery.

Key topics include molecular dynamics simulations, quantum mechanics (QM), AI-enabled virtual screening, generative modeling for compound design, ultra-large-scale virtual screening, computational strategies for designing new therapeutic models, and the role of computing technologies in accelerating drug discovery efforts. Learn More.

Chapters Contributed by QuantumBio:

  • Chapter 7: Recent Advances in Practical Quantum Mechanics and Mixed-QM/MM-Driven X-Ray Crystallography and Cryogenic Electron Microscopy (Cryo-EM) and Their Impact on Structure-Based Drug Discovery
    • Authors: Oleg Borbulevych, Lance M. Westerhoff
    • Summary: This chapter delves into recent advancements in quantum mechanics and mixed-QM/MM-driven methods in X-ray crystallography and Cryo-EM, exploring the impact of improved structure (including accurate, density-driven tautomer/protomer, stereoisomer, solvation, and rotamer determination) on structure-based drug discovery. Learn More.
  • Chapter 25: Cloud-Native Rendering Platform and GPUs Aid Drug Discovery
    • Authors: Mark Ross, Michael Drummond, Lance Westerhoff, Xavier Barbeu, Essam Metwally, Sasha Banks-Louie, Kevin Jorissen, Anup Ojah, Ruzhu Chen
    • Summary: Highlighting the advancements in cloud computing and GPU technology, this chapter illustrates how these tools are aiding drug discovery efforts, offering better modeling accuracy and improved scientific discovery within shorter timeframes and budgets. Learn More.

We believe these chapters will provide invaluable insights into the latest advancements in computational drug discovery and serve as a valuable resource for professionals engaged in drug discovery.

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QuantumBio offers a powerful suite of innovative software products purpose-built for life sciences on cutting-edge science that utilizes the highest levels of theory available to achieve peak accuracy, performance, and versatility. Through our science-first, customer-centric approach, we make precision quantum mechanical approaches more user-friendly, cost-effective and easily accessible. We help pharmaceutical, biotech, and academic scientists improve their understanding of biochemical structure and function while enhancing the drug discovery process.