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Disambiguation of "Shirts, Michael R"

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Alchemical free energy methods for drug discovery: progress and challenges

, , , , , and . Current Opinion in Structural Biology, 21 (2): 150 - 160 (2011)
DOI: http://dx.doi.org/10.1016/j.sbi.2011.01.011

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Michael R Schön

Michael R Glaubitz

Michael R Koch

Michael R Schön

Michael R Will

 

Other publications of authors with the same name

The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations., , , , , , , , , and 7 other author(s). J. Comput. Aided Mol. Des., 34 (5): 601-633 (2020)Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge., , , , , and . J. Comput. Aided Mol. Des., 30 (11): 927-944 (2016)Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset., , , , , , , and . J. Comput. Aided Mol. Des., 31 (8): 777 (2017)Bayesian-Inference-Driven Model Parametrization and Model Selection for 2CLJQ Fluid Models., , , , , and . J. Chem. Inf. Model., 62 (4): 874-889 (2022)Simple Quantitative Tests to Validate Sampling from Thermodynamic Ensembles. Journal of Chemical Theory and Computation, 9 (2): 909-926 (2013)PMID: 26588735.Adaptive Ensemble Biomolecular Applications at Scale., , , , , and . SN Comput. Sci., 1 (2): 104 (2020)Direct calculation of the binding free energies of FKBP ligands, , , , , , , and . Journal of Chemical Physics, (2005)Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics., , , and . J. Comput. Aided Mol. Des., 27 (12): 989-1007 (2013)Overview adcm43.bhtof the SAMPL5 host-guest challenge: Are we doing better?, , , , , , and . J. Comput. Aided Mol. Des., 31 (1): 1-19 (2017)Native-like Mean Structure in the Unfolded Ensemble of Small Proteins, , , , and . J. Mol. Biol., (2002)