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Journal of Chemical Theory and Computation|November 28, 2015
Monte Carlo Sampling with Hierarchical Move Sets: POSH Monte CarloJerome Nilmeier, Matthew P JacobsonJournal of Chemical Theory and Computation|July 12, 2011
Assessing protein loop flexibility by hierarchical Monte Carlo samplingJerome Nilmeier, Lan Hua, Evangelos A Coutsias, et al.Journal of Chemical Theory and Computation|January 3, 2009
Multiscale Monte Carlo Sampling of Protein Sidechains: Application to Binding Pocket FlexibilityJerome Nilmeier, Matt JacobsonPlos One|April 21, 2010
Binding-site assessment by virtual fragment screeningNiu Huang, Matthew P JacobsonProteins|October 13, 2007
Conformational selection in silico: loop latching motions and ligand binding in enzymesSergio Wong, Matthew P JacobsonCurrent Opinion in Drug Discovery & Development|June 9, 2007
Physics-based methods for studying protein-ligand interactionsNiu Huang, Matthew P JacobsonBiochemistry|April 27, 2010
Studying enzyme-substrate specificity in silico: a case study of the Escherichia coli glycolysis pathwayChakrapani Kalyanaraman, Matthew P JacobsonACS Chemical Neuroscience|February 21, 2013
Predicting efflux ratios and blood-brain barrier penetration from chemical structure: combining passive permeability with active efflux by P-glycoproteinElena Dolghih, Matthew P JacobsonCurrent Topics in Medicinal Chemistry|April 13, 2013
In silico prediction of brain exposure: drug free fraction, unbound brain to plasma concentration ratio and equilibrium half-lifeMorena Spreafico, Matthew P JacobsonJournal of Computer-Aided Molecular Design|November 9, 2007
An atomistic model of passive membrane permeability: application to a series of FDA approved drugsChakrapani Kalyanaraman, Matthew P JacobsonPageof 18