Items where authors include "Harris, SA"

Article

Kiessling, AR orcid.org/0000-0001-9575-8153, Harris, SA, Weimer, KA et al. (2 more authors) (2022) The C-terminal head domain of Burkholderia pseudomallei BpaC has a striking hydrophilic core with an extensive solvent network. Molecular Microbiology, 118 (1-2). pp. 77-91. ISSN 0950-382X

Gravett, MSC orcid.org/0000-0001-8351-7176, Cocking, RC, Curd, AP orcid.org/0000-0002-3949-7523 et al. (8 more authors) (2022) Moving in the mesoscale: Understanding the mechanics of cytoskeletal molecular motors by combining mesoscale simulations with imaging. Wiley Interdisciplinary Reviews: Computational Molecular Science, 12 (3). e1570. ISSN 1759-0884

da Rosa, G, Grille, L, Calzada, V et al. (23 more authors) (2021) Sequence-dependent structural properties of B-DNA: what have we learned in 40 years? Biophysical Reviews, 13 (6). pp. 995-1005. ISSN 1867-2450

Edwards, T orcid.org/0000-0002-1467-3674, Foloppe, N, Harris, SA et al. (1 more author) (2021) The future of biomolecular simulation in the pharmaceutical industry: what we can learn from aerodynamics modelling and weather prediction. Part 1. understanding the physical and computational complexity of in silico drug design. Acta Crystallographica Section D: Structural Biology, 77 (11). pp. 1348-1356. ISSN 2059-7983

Nikolopoulos, G orcid.org/0000-0003-3166-8372, Smith, CEL orcid.org/0000-0001-8320-5105, Poulter, JA orcid.org/0000-0003-2048-5693 et al. (10 more authors) (2021) Spectrum of pathogenic variants and founder effects in amelogenesis imperfecta associated with MMP20. Human Mutation, 42 (5). pp. 567-576. ISSN 1059-7794

Voysey, M, Costa Clemens, SA, Madhi, SA et al. (763 more authors) (2021) Single-dose administration and the influence of the timing of the booster dose on immunogenicity and efficacy of ChAdOx1 nCoV-19 (AZD1222) vaccine: a pooled analysis of four randomised trials. The Lancet, 397 (10277). pp. 881-891. ISSN 0140-6736

Poulter, JA, Gravett, MSC orcid.org/0000-0001-8351-7176, Taylor, RL et al. (26 more authors) (2021) New variants and in silico analyses in GRK1 associated Oguchi disease. Human Mutation, 42 (2). humu.24140. pp. 164-176. ISSN 1059-7794

van der Heijden, TWG, Read, DJ orcid.org/0000-0003-1194-9273, Harlen, OG orcid.org/0000-0002-4593-3547 et al. (3 more authors) (2020) Combined force-torque spectroscopy of proteins by means of multiscale molecular simulation. Biophysical Journal, 119 (11). pp. 2240-2250. ISSN 0006-3495

Richardson, RA, Hanson, BS orcid.org/0000-0002-6079-4506, Read, DJ orcid.org/0000-0003-1194-9273 et al. (2 more authors) (2020) Exploring the dynamics of flagellar dynein within the axoneme with Fluctuating Finite Element Analysis. Quarterly Reviews of Biophysics, 53. e9. ISSN 0033-5835

Welch, RJ orcid.org/0000-0002-0135-0112, Harris, SA, Harlen, O orcid.org/0000-0002-4593-3547 et al. (1 more author) (2020) KOBRA: A Fluctuating Elastic Rod Model for Slender Biological Macromolecules. Soft Matter. ISSN 1744-683X

Hanson, BS orcid.org/0000-0002-6079-4506, Iida, S, Read, DJ et al. (4 more authors) (2020) Continuum Mechanical Parameterisation of Cytoplasmic Dynein from Atomistic Simulation. Methods. ISSN 1046-2023

Lee, SC, Collins, R, Lin, Y-P et al. (13 more authors) (2019) Nano-encapsulated Escherichia coli Divisome Anchor ZipA, and in Complex with FtsZ. Scientific Reports, 9 (1). 18712. ISSN 2045-2322

Leng, J orcid.org/0000-0001-9790-162X, Shoura, M, McLeish, TCB et al. (5 more authors) (2019) Securing the future of research computing in the biosciences. PLoS computational biology, 15 (5). e1006958. ISSN 1553-734X

Huggins, DJ, Biggin, PC, Dämgen, MA et al. (11 more authors) (2019) Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity. Wiley Interdisciplinary Reviews: Computational Molecular Science, 9 (3). e1393. ISSN 1759-0876

Solernou, A, Hanson, BS, Richardson, RA et al. (4 more authors) (2018) Fluctuating Finite Element Analysis (FFEA): A continuum mechanics software tool for mesoscale simulation of biomolecules. PLoS Computational Biology, 14 (3). e1005897. ISSN 1553-734X

Robinson, JI orcid.org/0000-0001-5425-7520, Baxter, EW, Owen, RL et al. (13 more authors) (2018) Affimer proteins inhibit immune complex binding to FcγRIIIa with high specificity through competitive and allosteric modes of action. Proceedings of the National Academy of Sciences, 115 (1). E72-E81. ISSN 0027-8424

Davies, RPW, Liu, B, Maude, S et al. (4 more authors) (2018) Peptide strand length controls the energetics of self‐assembly and morphology of β‐sheet fibrils. Peptide Science, 110 (1). e23073. ISSN 0006-3525

Noy, A, Maxwell, A and Harris, SA (2017) Interference between Triplex and Protein Binding to Distal Sites on Supercoiled DNA. Biophysical Journal, 112 (3). pp. 523-531. ISSN 0006-3495

Noy, A, Sutthibutpong, T and Harris, SA (2016) Protein/DNA interactions in complex DNA topologies: expect the unexpected. Biophysical Reviews, 8 (S1). pp. 145-155. ISSN 1867-2450

Sutthibutpong, T, Matek, C, Benham, C et al. (6 more authors) (2016) Long-range correlations in the mechanics of small DNA circles under topological stress revealed by multi-scale simulation. Nucleic acids research, 44 (19). pp. 9121-9130. ISSN 0305-1048

Noy, A, Sutthibutpong, T and Harris, SA (2016) Protein/DNA interactions in complex DNA topologies: expect the unexpected. Biophysical Reviews, 8 (3). pp. 233-243. ISSN 1867-2450

Schiffrin, B, Calabrese, AN, Devine, PWA et al. (4 more authors) (2016) Skp is a multivalent chaperone of outer membrane proteins. Nature Structural and Molecular Biology, 23 (9). pp. 786-793. ISSN 1545-9993

Rajasekar, KV, Lovering, AL, Dancea, F et al. (7 more authors) (2016) Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator. Nucleic Acids Research, 44 (10). pp. 4947-4956. ISSN 0305-1048

Ivani, I, Dans, PD, Noy, A et al. (16 more authors) (2016) Parmbsc1: a refined force field for DNA simulations. Nature Methods, 13 (1). pp. 55-58. ISSN 1548-7091

Irobalieva, RN, Fogg, JM, Catanese, CDJ et al. (8 more authors) (2015) Structural diversity of supercoiled DNA. Nature Communications, 6. 8440.

Sutthibutpong, T, Harris, SA and Noy, A (2015) Comparison of Molecular Contours for Measuring Writhe in Atomistic Supercoiled DNA. Journal of Chemical Theory and Computation, 11 (6). pp. 2768-2775. ISSN 1549-9618

Richardson, RA, Papachristos, K, Read, DJ et al. (5 more authors) (2014) Understanding the apparent stator-rotor connections in the rotary ATPase family using coarse-grained computer modeling. Proteins: Structure, Function, and Bioinformatics, 82 (12). 3298 - 3311. ISSN 0887-3585

Ndlovu, H, Ashcroft, AE, Radford, SE et al. (1 more author) (2013) Molecular dynamics simulations of mechanical failure in polymorphic arrangements of amyloid fibrils containing structural defects. Beilstein Journal of Nanotechnology, 4. 429 - 440. ISSN 2190-4286

Oliver, R, Read, DJ, Harlen, OG et al. (1 more author) (2013) A Stochastic Finite Element Model for the Dynamics of Globular Macromolecules. Journal of Computational Physics, 239. 147 - 165. ISSN 0021-9991

Book Section

Harborne, SPD, Strauss, J orcid.org/0000-0001-7482-6567, Turku, A et al. (4 more authors) (2018) Chapter Three - Defining Dynamics of Membrane-Bound Pyrophosphatases by Experimental and Computational Single-Molecule FRET. In: Methods in Enzymology 0076-6879. Elsevier , Oxford, UK , pp. 93-130.

Proceedings Paper

Harris, SA, Noy, A and Sutthibutpong, T (2018) Seeing Supercoiled DNA with Atomistic Simulation: A New Twist on a Familiar Structure. In: BIOPHYSICAL JOURNAL. Symposium: DNA Supercoiling, 18 Feb 2018. Biophysical Society , 12A-12A.