Crystal Structure Prediction & the Drug Development World of Tomorrow
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.
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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