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Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules.
Callum J. Dickson
Viktor Hornak
Dallas Bednarczyk
José S. Duca
Published in:
J. Chem. Inf. Model. (2019)
Keyphrases
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ligand docking
pharmaceutical industry
chemical compounds
virtual screening
partitioning algorithm
predicting future
numerical simulations
real time
search engine
simulation study
simulation environment
drug discovery
chemical reactions