A Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Molecular Dynamics Simulations
Carpenter, Timothy S., Kirshner, Daniel A., Lau, Edmond Y., Wong, Sergio E., Nilmeier, Jerome P., Lightstone, Felice C.
Published in Biophysical journal (05.08.2014)
Published in Biophysical journal (05.08.2014)
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Journal Article
Rapid catalytic template searching as an enzyme function prediction procedure
Nilmeier, Jerome P, Kirshner, Daniel A, Wong, Sergio E, Lightstone, Felice C
Published in PloS one (10.05.2013)
Published in PloS one (10.05.2013)
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Journal Article
Prediction of Blood-Brain Barrier Permeability from Molecular Dynamics Simulations
Carpenter, Timothy S., Lau, Edmond Y., Kirshner, Daniel A., Lightstone, Felice C.
Published in Biophysical journal (28.01.2014)
Published in Biophysical journal (28.01.2014)
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Journal Article