• Crystal Structure Prediction & the Drug Development World of Tomorrow

  • Apr 14 2022
  • Length: 18 mins
  • Podcast

Crystal Structure Prediction & the Drug Development World of Tomorrow

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  • Summary

  • Crystal structure prediction (CSP) has been a vital part of the mission of XtalPi, an artificial intelligence and quantum physics based pharmaceutical technology company aiming to improve the speed, scale, novelty, and success rate of drug discovery and development. 
    Chandler Greenwell, an applications scientist at XtaPi, shares how CSP is revolutionizing the field. 
    We discuss:
    How polymorphism relates to CSP
    Insights that CSP can provide for de-risking the polymorph landscape
    Future applications for CSP 
    Resources mentioned during the podcast:
    Facts and fictions about polymorphism 
    Why don’t we find more polymorphs? 
    Report on the sixth blind test of organic crystal structure prediction methods 
    Harnessing Cloud Architecture for Crystal Structure Prediction Calculations 
    Prediction of the Relative Free Energies of Drug Polymorphs above Zero Kelvin 
    Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction 
    Virtual Coformer Screening by Crystal Structure Predictions: Crucial Role of Crystallinity in Pharmaceutical Cocrystallization 
    Guiding Lead Optimization for Solubility Improvement with Physics-Based Modeling 
    Email Chandler: chandler.greenwell@xtalpi.com  
    For more insights into the pharmaceutical industry, subscribe to the show on Apple Podcasts, Spotify, or wherever podcasts are found. 
    Listening on a desktop & can’t see the links? Just search for The Pharma Lab Show in your favorite podcast player.
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