New computational method reduces risk of drug formulation
-A team of researchers has developed a new method to calculate and predict how drug molecules in molecular crystals arrange themselves under changing energetic conditions.
-For pharmaceutical companies, this approach could be used to avoid expensive development failures, production errors, and potential litigation.
Johannes Hoja, Hsin-Yu Ko, Marcus A. Neumann, Roberto Car, Robert A. DiStasio, Alexandre Tkatchenko. Reliable and practical computational description of molecular crystal polymorphs. Science Advances, 2019; 5 (1): eaau3338 DOI: 10.1126/sciadv.aau3338
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