Computational chemistry and molecular modeling form the backbone of modern theoretical and applied chemical science. These fields utilise advanced quantum mechanical methods and simulation techniques ...
The University of Chicago announced this week the formation of the first U.S.-based node of the Centre Européen de Calcul Atomique and Moléculaire (European Centre for Atomic and Molecular Computation ...
In-silico modeling aids in early decision-making for poorly soluble drugs, which are prevalent in development pipelines. AI, ML, and statistical algorithms guide solubilization method selection, ...
COSMIC (molecular conformation space modeling in internal coordinates) can provide important insights into the 3D positioning and activity of molecules to help drive decisions about drug design. While ...
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