Andrew J Ballard
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Explore the profile of Andrew J Ballard including associated specialties, affiliations and a list of published articles.
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14
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14887
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Recent Articles
1.
Abramson J, Adler J, Dunger J, Evans R, Green T, Pritzel A, et al.
Nature
. 2024 Nov;
636(8042):E4.
PMID: 39604737
No abstract available.
2.
Abramson J, Adler J, Dunger J, Evans R, Green T, Pritzel A, et al.
Nature
. 2024 May;
630(8016):493-500.
PMID: 38718835
The introduction of AlphaFold 2 has spurred a revolution in modelling the structure of proteins and their interactions, enabling a huge range of applications in protein modelling and design. Here...
3.
Jumper J, Evans R, Pritzel A, Green T, Figurnov M, Ronneberger O, et al.
Proteins
. 2021 Oct;
89(12):1711-1721.
PMID: 34599769
We describe the operation and improvement of AlphaFold, the system that was entered by the team AlphaFold2 to the "human" category in the 14th Critical Assessment of Protein Structure Prediction...
4.
Tunyasuvunakool K, Adler J, Wu Z, Green T, Zielinski M, Zidek A, et al.
Nature
. 2021 Jul;
596(7873):590-596.
PMID: 34293799
Protein structures can provide invaluable information, both for reasoning about biological processes and for enabling interventions such as structure-based drug development or targeted mutagenesis. After decades of effort, 17% of...
5.
Jumper J, Evans R, Pritzel A, Green T, Figurnov M, Ronneberger O, et al.
Nature
. 2021 Jul;
596(7873):583-589.
PMID: 34265844
Proteins are essential to life, and understanding their structure can facilitate a mechanistic understanding of their function. Through an enormous experimental effort, the structures of around 100,000 unique proteins have...
6.
Wirnsberger P, Ballard A, Papamakarios G, Abercrombie S, Racaniere S, Pritzel A, et al.
J Chem Phys
. 2020 Oct;
153(14):144112.
PMID: 33086827
Free energy perturbation (FEP) was proposed by Zwanzig [J. Chem. Phys. 22, 1420 (1954)] more than six decades ago as a method to estimate free energy differences and has since...
7.
Ballard A, Das R, Martiniani S, Mehta D, Sagun L, Stevenson J, et al.
Phys Chem Chem Phys
. 2017 Apr;
19(20):12585-12603.
PMID: 28367548
Machine learning techniques are being increasingly used as flexible non-linear fitting and prediction tools in the physical sciences. Fitting functions that exhibit multiple solutions as local minima can be analysed...
8.
Ballard A, Stevenson J, Das R, Wales D
J Chem Phys
. 2016 Apr;
144(12):124119.
PMID: 27036439
Methods developed to explore and characterise potential energy landscapes are applied to the corresponding landscapes obtained from optimisation of a cost function in machine learning. We consider neural network predictions...
9.
Chebaro Y, Ballard A, Chakraborty D, Wales D
Sci Rep
. 2015 May;
5:10386.
PMID: 25999294
Analysis of an intrinsically disordered protein (IDP) reveals an underlying multifunnel structure for the energy landscape. We suggest that such 'intrinsically disordered' landscapes, with a number of very different competing...
10.
Somani S, Okamoto Y, Ballard A, Wales D
J Phys Chem B
. 2015 Apr;
119(20):6155-69.
PMID: 25915525
We present two methods for barrierless equilibrium sampling of molecular systems based on the recently proposed Kirkwood method (J. Chem. Phys. 2009, 130, 134102). Kirkwood sampling employs low-order correlations among...