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Items: 14

1.

Reliable Generation of Native-Like Decoys Limits Predictive Ability in Fragment-Based Protein Structure Prediction.

Kandathil SM, Garza-Fabre M, Handl J, Lovell SC.

Biomolecules. 2019 Oct 15;9(10). pii: E612. doi: 10.3390/biom9100612.

2.

Recent developments in deep learning applied to protein structure prediction.

Kandathil SM, Greener JG, Jones DT.

Proteins. 2019 Oct 7. doi: 10.1002/prot.25824. [Epub ahead of print]

PMID:
31589782
3.

Deep learning extends de novo protein modelling coverage of genomes using iteratively predicted structural constraints.

Greener JG, Kandathil SM, Jones DT.

Nat Commun. 2019 Sep 4;10(1):3977. doi: 10.1038/s41467-019-11994-0.

4.

Prediction of interresidue contacts with DeepMetaPSICOV in CASP13.

Kandathil SM, Greener JG, Jones DT.

Proteins. 2019 Jul 12. doi: 10.1002/prot.25779. [Epub ahead of print]

PMID:
31298436
5.

Uncommon mutational profiles of metastatic colorectal cancer detected during routine genotyping using next generation sequencing.

Franczak C, Kandathil SM, Gilson P, Husson M, Rouyer M, Demange J, Leroux A, Merlin JL, Harlé A.

Sci Rep. 2019 May 8;9(1):7083. doi: 10.1038/s41598-019-43646-0.

6.

Improved fragment-based protein structure prediction by redesign of search heuristics.

Kandathil SM, Garza-Fabre M, Handl J, Lovell SC.

Sci Rep. 2018 Sep 12;8(1):13694. doi: 10.1038/s41598-018-31891-8.

7.

High precision in protein contact prediction using fully convolutional neural networks and minimal sequence features.

Jones DT, Kandathil SM.

Bioinformatics. 2018 Oct 1;34(19):3308-3315. doi: 10.1093/bioinformatics/bty341.

8.

Adaptive HIV-1 evolutionary trajectories are constrained by protein stability.

Olabode AS, Kandathil SM, Lovell SC, Robertson DL.

Virus Evol. 2017 Aug 1;3(2):vex019. doi: 10.1093/ve/vex019. eCollection 2017 Jul.

9.

Generating, Maintaining, and Exploiting Diversity in a Memetic Algorithm for Protein Structure Prediction.

Garza-Fabre M, Kandathil SM, Handl J, Knowles J, Lovell SC.

Evol Comput. 2016 Winter;24(4):577-607. Epub 2016 Feb 23.

PMID:
26908350
10.

Toward a detailed understanding of search trajectories in fragment assembly approaches to protein structure prediction.

Kandathil SM, Handl J, Lovell SC.

Proteins. 2016 Apr;84(4):411-26. doi: 10.1002/prot.24987. Epub 2016 Feb 23.

11.

Proton tunnelling and promoting vibrations during the oxidation of ascorbate by ferricyanide?

Kandathil SM, Driscoll MD, Dunn RV, Scrutton NS, Hay S.

Phys Chem Chem Phys. 2014 Feb 14;16(6):2256-9. doi: 10.1039/c3cp55131h.

PMID:
24394921
12.

Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging.

Hughes TJ, Kandathil SM, Popelier PL.

Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 5;136 Pt A:32-41. doi: 10.1016/j.saa.2013.10.059. Epub 2013 Nov 5.

PMID:
24274986
13.

Accuracy and tractability of a kriging model of intramolecular polarizable multipolar electrostatics and its application to histidine.

Kandathil SM, Fletcher TL, Yuan Y, Knowles J, Popelier PL.

J Comput Chem. 2013 Aug 5;34(21):1850-61. doi: 10.1002/jcc.23333. Epub 2013 May 29.

PMID:
23720381
14.

Overview of effective and promising interventions to prevent HIV infection.

Auerbach JD, Hayes RJ, Kandathil SM.

World Health Organ Tech Rep Ser. 2006;938:43-78; discussion 317-41. Review.

PMID:
16921917

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