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Year Number of Results
1986 1
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2004 6
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2007 7
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2009 7
2010 5
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2013 2
2014 9
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114 results

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Page 1
Predicting Binding Free Energies: Frontiers and Benchmarks.
Mobley DL, Gilson MK. Mobley DL, et al. Annu Rev Biophys. 2017 May 22;46:531-558. doi: 10.1146/annurev-biophys-070816-033654. Epub 2017 Apr 7. Annu Rev Biophys. 2017. PMID: 28399632 Free PMC article. Review.
Calculation of protein-ligand binding affinities.
Gilson MK, Zhou HX. Gilson MK, et al. Annu Rev Biophys Biomol Struct. 2007;36:21-42. doi: 10.1146/annurev.biophys.36.040306.132550. Annu Rev Biophys Biomol Struct. 2007. PMID: 17201676 Review.
Overview of the SAMPL5 host-guest challenge: Are we doing better?
Yin J, Henriksen NM, Slochower DR, Shirts MR, Chiu MW, Mobley DL, Gilson MK. Yin J, et al. J Comput Aided Mol Des. 2017 Jan;31(1):1-19. doi: 10.1007/s10822-016-9974-4. Epub 2016 Sep 22. J Comput Aided Mol Des. 2017. PMID: 27658802 Free PMC article. Review.
Entropic effects enable life at extreme temperatures.
Kim YH, Leriche G, Diraviyam K, Koyanagi T, Gao K, Onofrei D, Patterson J, Guha A, Gianneschi N, Holland GP, Gilson MK, Mayer M, Sept D, Yang J. Kim YH, et al. Sci Adv. 2019 May 1;5(5):eaaw4783. doi: 10.1126/sciadv.aaw4783. eCollection 2019 May. Sci Adv. 2019. PMID: 31049402 Free PMC article.
The SAMPL4 host-guest blind prediction challenge: an overview.
Muddana HS, Fenley AT, Mobley DL, Gilson MK. Muddana HS, et al. J Comput Aided Mol Des. 2014 Apr;28(4):305-17. doi: 10.1007/s10822-014-9735-1. Epub 2014 Mar 6. J Comput Aided Mol Des. 2014. PMID: 24599514 Free PMC article. Review.
Motor-like Properties of Nonmotor Enzymes.
Slochower DR, Gilson MK. Slochower DR, et al. Biophys J. 2018 May 8;114(9):2174-2179. doi: 10.1016/j.bpj.2018.02.008. Biophys J. 2018. PMID: 29742410 Free PMC article.
Public domain databases for medicinal chemistry.
Nicola G, Liu T, Gilson MK. Nicola G, et al. J Med Chem. 2012 Aug 23;55(16):6987-7002. doi: 10.1021/jm300501t. Epub 2012 Jul 11. J Med Chem. 2012. PMID: 22731701 Free PMC article. No abstract available.
Driving torsion scans with wavefront propagation.
Qiu Y, Smith DGA, Stern CD, Feng M, Jang H, Wang LP. Qiu Y, et al. J Chem Phys. 2020 Jun 28;152(24):244116. doi: 10.1063/5.0009232. J Chem Phys. 2020. PMID: 32610969 Free PMC article.
114 results