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Predicting Binding Free Energies: Frontiers and Benchmarks.
Mobley DL, Gilson MK. Mobley DL, et al. Among authors: gilson mk. 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.
Blind prediction of host-guest binding affinities: a new SAMPL3 challenge.
Muddana HS, Varnado CD, Bielawski CW, Urbach AR, Isaacs L, Geballe MT, Gilson MK. Muddana HS, et al. Among authors: gilson mk. J Comput Aided Mol Des. 2012 May;26(5):475-87. doi: 10.1007/s10822-012-9554-1. Epub 2012 Feb 25. J Comput Aided Mol Des. 2012. PMID: 22366955 Free PMC article.
The SAMPL4 host-guest blind prediction challenge: an overview.
Muddana HS, Fenley AT, Mobley DL, Gilson MK. Muddana HS, et al. Among authors: gilson mk. 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.
182 results