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Crystal Structure Prediction & the Drug Development World of Tomorrow

Crystal Structure Prediction & the Drug Development World of Tomorrow

FromThe Pharma Lab Show


Crystal Structure Prediction & the Drug Development World of Tomorrow

FromThe Pharma Lab Show

ratings:
Length:
18 minutes
Released:
Apr 14, 2022
Format:
Podcast episode

Description

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  
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Released:
Apr 14, 2022
Format:
Podcast episode