Connection
Michael Shirts to Water
This is a "connection" page, showing publications Michael Shirts has written about Water.
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0.800 |
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Paliwal H, Shirts MR. Multistate reweighting and configuration mapping together accelerate the efficiency of thermodynamic calculations as a function of molecular geometry by orders of magnitude. J Chem Phys. 2013 Apr 21; 138(15):154108.
Score: 0.326
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Shirts MR, Pande VS. Solvation free energies of amino acid side chain analogs for common molecular mechanics water models. J Chem Phys. 2005 Apr 01; 122(13):134508.
Score: 0.186
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Shirts MR, Klein C, Swails JM, Yin J, Gilson MK, Mobley DL, Case DA, Zhong ED. Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. J Comput Aided Mol Des. 2017 01; 31(1):147-161.
Score: 0.104
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Bannan CC, Burley KH, Chiu M, Shirts MR, Gilson MK, Mobley DL. Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge. J Comput Aided Mol Des. 2016 11; 30(11):927-944.
Score: 0.103
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Shirts MR, Mobley DL. An introduction to best practices in free energy calculations. Methods Mol Biol. 2013; 924:271-311.
Score: 0.080