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Professor Adrian J MulhollandB.Sc.(Bristol), D.Phil.(Oxon.)

Professor

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  1. 2020
  2. Accepted/In press

    Biocompatible visible-light photoswitching of ligand binding mode indicates G-quadruplex DNA as a target for photopharmacology

    O'Hagan, M. P., Ramos Soriano, F. J., Haldar, S., Sheikh, S., Morales, J. C., Mulholland, A. J. & Galan, M. C., 18 Mar 2020, (Accepted/In press) In : Chemical Communications.

    Research output: Contribution to journalArticle

  3. Published

    Visualizing the protons in a metalloenzyme electron proton transfer pathway

    Kwon, H., Basran, J., Devos, J. M., Suardiaz Del Rio, R., Van Der Kamp, M. W., Mulholland, A. J., Schrader, T. E., Ostermann, A., Blakeley, M. P., Moody, P. C. E. & Raven, E., 9 Mar 2020, In : Proceedings of the National Academy of Sciences of the United States of America.

    Research output: Contribution to journalArticle

  4. Published

    Discovery of New and Potent InhA Inhibitors as Anti-tuberculosis Agents: Structure Based Virtual Screening Validated by Biological Assays and X-ray Crystallography

    Kamsri, P., Hanwarinroj, C., Phusi, N., Pornprom, T., Chayajarus, K., Punkvang, A., Suttipanta, N., Srimanote, P., Suttisintong, K., Songsiriritthigul, C., Saparpakorn, P., Hannongbua, S., Rattanabunyong, S., Seetaha, S., Choowongkomon, K., Sureram, S., Kittakoop, P., Hongmanee, P., Santanirand, P., Chen, Z., Zhu, W., Blood, R. A., Takebayashi, Y., Hinchliffe, P., Mulholland, A. J., Spencer, J. & Pungpo, P., 27 Jan 2020, In : Journal of Chemical Information and Modeling. 60 (2020), 1, p. 226-234 9 p.

    Research output: Contribution to journalArticle

  5. E-pub ahead of print

    Cyclic boronates as versatile scaffolds for KPC-2 β-lactamase inhibition

    Tooke, C. L., Hinchliffe, P., Kranjnc, A., Mulholland, A. J., Brem, J., Schofield, C. J. & Spencer, J., 10 Jan 2020, In : Medicinal Chemistry. 6 p.

    Research output: Contribution to journalArticle

  6. 2019
  7. Published

    A General Mechanism for Signal Propagation in the Nicotinic Acetylcholine Receptor Family

    Oliveira, A. S. F., Edsall, C. J., Woods, C. J., Bates, P., Nunez, G. V., Wonnacott, S., Bermudez, I., Ciccotti, G., Gallagher, T., Sessions, R. B. & Mulholland, A. J., 26 Dec 2019, In : Journal of the American Chemical Society. 141, p. 19953-19958 6 p., 51.

    Research output: Contribution to journalArticle

  8. Published

    Taming the reactivity of monoterpene synthases to guide regioselective product hydroxylation

    Leferink, N. G. H., Ranaghan, K. E., Battye, J., Johannissen, L. O., Hay, S., Van Der Kamp, M. W., Mulholland, A. J. & Scrutton, N. S., 3 Dec 2019, In : ChemBioChem. 7 p.

    Research output: Contribution to journalArticle

  9. Published

    BioSimSpace: An interoperable Python framework for biomolecular simulation

    Hedges, L. O., Mey, A. S. J. S., Laughton, C., Gervasio, F. L., Mulholland, A. J., Woods, C. J. & Michel, J., 22 Nov 2019, In : Journal of Open Source Software. 4, 1831.

    Research output: Contribution to journalArticle

  10. Accepted/In press

    IMPRESSION – prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracy

    Gerrard, W., Bratholm, L. A., Packer, M. J., Mulholland, A. J., Glowacki, D. R. & Butts, C. P., 18 Nov 2019, (Accepted/In press) In : Chemical Science. 11, 2, p. 508-515 8 p.

    Research output: Contribution to journalArticle

  11. Published

    In silico study directed towards identification of the key structural features of GyrB inhibitors targeting MTB DNA gyrase: HQSAR, CoMSIA and molecular dynamics simulations

    Kamsri, P., Punkvang, A., Hannongbua, S., Suttisintong, K., Kittakoop, P., Spencer, J., Mulholland, A. J. & Pungpo, P., 2 Nov 2019, In : SAR and QSAR in Environmental Research. 30, 11, p. 775-800 27 p.

    Research output: Contribution to journalArticle

  12. E-pub ahead of print

    Limitations of ligand-only approaches for predicting the reactivity of covalent inhibitors

    Voice, A., Tresadern, G., van Vlijmen, H. & Mulholland, A. J., 24 Sep 2019, In : Journal of Chemical Information and Modeling. 8 p.

    Research output: Contribution to journalArticle

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