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Page 1
Equilibrium molecular thermodynamics from Kirkwood sampling.
Somani S, Okamoto Y, Ballard AJ, Wales DJ. Somani S, et al. Among authors: ballard aj. J Phys Chem B. 2015 May 21;119(20):6155-69. doi: 10.1021/acs.jpcb.5b01800. Epub 2015 May 12. J Phys Chem B. 2015. PMID: 25915525 Free PMC article.
Intrinsically disordered energy landscapes.
Chebaro Y, Ballard AJ, Chakraborty D, Wales DJ. Chebaro Y, et al. Among authors: ballard aj. Sci Rep. 2015 May 22;5:10386. doi: 10.1038/srep10386. Sci Rep. 2015. PMID: 25999294 Free PMC article.
Energy landscapes for machine learning.
Ballard AJ, Das R, Martiniani S, Mehta D, Sagun L, Stevenson JD, Wales DJ. Ballard AJ, et al. Phys Chem Chem Phys. 2017 May 24;19(20):12585-12603. doi: 10.1039/c7cp01108c. Phys Chem Chem Phys. 2017. PMID: 28367548
Targeted free energy estimation via learned mappings.
Wirnsberger P, Ballard AJ, Papamakarios G, Abercrombie S, Racanière S, Pritzel A, Jimenez Rezende D, Blundell C. Wirnsberger P, et al. Among authors: ballard aj. J Chem Phys. 2020 Oct 14;153(14):144112. doi: 10.1063/5.0018903. J Chem Phys. 2020. PMID: 33086827
Toward the mechanism of ionic dissociation in water.
Ballard AJ, Dellago C. Ballard AJ, et al. J Phys Chem B. 2012 Nov 15;116(45):13490-7. doi: 10.1021/jp309300b. Epub 2012 Nov 1. J Phys Chem B. 2012. PMID: 23078105 Free PMC article.
Highly accurate protein structure prediction with AlphaFold.
Jumper J, Evans R, Pritzel A, Green T, Figurnov M, Ronneberger O, Tunyasuvunakool K, Bates R, Žídek A, Potapenko A, Bridgland A, Meyer C, Kohl SAA, Ballard AJ, Cowie A, Romera-Paredes B, Nikolov S, Jain R, Adler J, Back T, Petersen S, Reiman D, Clancy E, Zielinski M, Steinegger M, Pacholska M, Berghammer T, Bodenstein S, Silver D, Vinyals O, Senior AW, Kavukcuoglu K, Kohli P, Hassabis D. Jumper J, et al. Among authors: ballard aj. Nature. 2021 Aug;596(7873):583-589. doi: 10.1038/s41586-021-03819-2. Epub 2021 Jul 15. Nature. 2021. PMID: 34265844 Free PMC article.
Highly accurate protein structure prediction for the human proteome.
Tunyasuvunakool K, Adler J, Wu Z, Green T, Zielinski M, Žídek A, Bridgland A, Cowie A, Meyer C, Laydon A, Velankar S, Kleywegt GJ, Bateman A, Evans R, Pritzel A, Figurnov M, Ronneberger O, Bates R, Kohl SAA, Potapenko A, Ballard AJ, Romera-Paredes B, Nikolov S, Jain R, Clancy E, Reiman D, Petersen S, Senior AW, Kavukcuoglu K, Birney E, Kohli P, Jumper J, Hassabis D. Tunyasuvunakool K, et al. Among authors: ballard aj. Nature. 2021 Aug;596(7873):590-596. doi: 10.1038/s41586-021-03828-1. Epub 2021 Jul 22. Nature. 2021. PMID: 34293799 Free PMC article.
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