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Journal of Computational Chemistry|March 7, 2009
Reducing the bias and uncertainty of free energy estimates by using regression to fit thermodynamic integration dataConrad Shyu, F Marty YtrebergJournal of Computational Chemistry|July 13, 2010
Accurate estimation of solvation free energy using polynomial fitting techniquesConrad Shyu, F Marty YtrebergPlos One|March 17, 2010
Computational study of evolutionary selection pressure on rainbow trout estrogen receptorsConrad Shyu, Celeste J Brown, F Marty YtrebergToxicology and Applied Pharmacology|November 16, 2010
Computational estimation of rainbow trout estrogen receptor binding affinities for environmental estrogensConrad Shyu, Timothy D Cavileer, James J Nagler, et al.The Journal of Physical Chemistry. B|April 8, 2010
Computational study of small molecule binding for both tethered and free conditionsF Marty YtrebergThe Journal of Chemical Physics|May 2, 2009
Absolute FKBP binding affinities obtained via nonequilibrium unbinding simulationsF Marty YtrebergJournal of Computational Chemistry|September 14, 2004
Efficient use of nonequilibrium measurement to estimate free energy differences for molecular systemsF Marty Ytreberg, Daniel M ZuckermanThe Journal of Physical Chemistry. B|July 21, 2006
Peptide conformational equilibria computed via a single-stage shifting protocolF Marty Ytreberg, Daniel M ZuckermanArchives of Biochemistry and Biophysics|April 4, 2015
The cis conformation of proline leads to weaker binding of a p53 peptide to MDM2 compared to transYingqian Ada Zhan, F Marty YtrebergJournal of Chemical Theory and Computation|December 30, 2017
Fast Calculation of Protein-Protein Binding Free Energies Using Umbrella Sampling with a Coarse-Grained ModelJagdish Suresh Patel, F Marty YtrebergPageof 6