Research Output 1977 2019

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Review Article
2018

Free Energy Methods in Drug Design: Prospects of "Alchemical Perturbation" in Medicinal Chemistry

Williams-Noonan, B. J., Yuriev, E. & Chalmers, D. K., 8 Feb 2018, In : Journal of Medicinal Chemistry. 61, 3, p. 638-649 12 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Opening the black box of neural networks: methods for interpreting neural network models in clinical applications

Zhang, Z., Beck, M. W., Winkler, D. A., Huang, B., Sibanda, W., Goyal, H. & AME Big-Data Clinical Trial Collaborative Group, 2018, In : Annals of Translational Medicine. 6, 11, p. 1-11 11 p., 216.

Research output: Contribution to journalReview ArticleResearchpeer-review

Open Access
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Opportunities and guidelines for discovery of orally absorbed drugs in beyond rule of 5 space

Poongavanam, V., Doak, B. C. & Kihlberg, J., 1 Jun 2018, In : Current Opinion in Chemical Biology. 44, p. 23-29 7 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Photoswitchable Molecules in Long-Wavelength Light-Responsive Drug Delivery: From Molecular Design to Applications

Jia, S., Fong, W. K., Graham, B. & Boyd, B. J., 8 May 2018, In : Chemistry of Materials. 30, 9, p. 2873-2887 15 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Sea anemones: Quiet achievers in the field of peptide toxins

Prentis, P. J., Pavasovic, A. & Norton, R. S., 8 Jan 2018, In : Toxins. 10, 1, 15 p., 36.

Research output: Contribution to journalReview ArticleResearchpeer-review

Open Access
File

The influence and manipulation of acid/base properties in drug discovery

Manallack, D. T., Yuriev, E. & Chalmers, D. K., 2018, In : Drug Discovery Today: Technologies. 27, p. 41-47 7 p.

Research output: Contribution to journalReview ArticleOtherpeer-review

Open Access
File
2017

Antibody recognition of aberrant glycosylation on the surface of cancer cells

Soliman, C., Yuriev, E. & Ramsland, P., 1 Jun 2017, In : Current Opinion in Structural Biology. 44, p. 1-8 8 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Antimalarial drug discovery targeting apical membrane antigen 1

Devine, S. M., MacRaild, C. A., Norton, R. S. & Scammells, P. J., 2017, In : MedChemComm. 8, 1, p. 13-20 8 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Biomimetic molecular design tools that learn, evolve, and adapt

Winkler, D., 29 Jun 2017, In : Beilstein Journal of Organic Chemistry. 13, p. 1288-1302 15 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Computational Modeling and Simulation of CO2 Capture by Aqueous Amines

Yang, X., Rees, R. J., Conway, W., Puxty, G., Yang, Q. & Winkler, D. A., 18 May 2017, In : Chemical Reviews. 117, 14, p. 9524-9593 70 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Computational modelling of magnetic nanoparticle properties and in vivo responses

Winkler, D. A., 1 Mar 2017, In : Current Medicinal Chemistry. 24, 5, p. 483-496 14 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Enhancing the therapeutic potential of peptide toxins

Norton, R. S., 3 Jun 2017, In : Expert Opinion on Drug Discovery. 12, 6, p. 611-623 13 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

M1 aminopeptidases as drug targets: Broad applications or therapeutic niche?

Drinkwater, N., Lee, J., Yang, W., Malcolm, T. R. & McGowan, S., May 2017, In : FEBS Journal. 284, 10, p. 1473-1488 16 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Open Access
File

Peptide blockers of Kv1.3 channels in T cells as therapeutics for autoimmune disease

Chandy, G. K. & Norton, R. S., 1 Jun 2017, In : Current Opinion in Chemical Biology. 38, p. 97-107 11 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Predicting the performance of organic corrosion inhibitors

Winkler, D. A., 1 Dec 2017, In : Metals. 7, 12, 8 p., 533.

Research output: Contribution to journalReview ArticleResearchpeer-review

Open Access
File

Toward a systematic exploration of nano-bio interactions

Bai, X., Liu, F., Liu, Y., Li, C., Wang, S., Zhou, H., Wang, W., Zhu, H., Winkler, D. A. & Yan, B., 15 May 2017, In : Toxicology and Applied Pharmacology. 323, p. 66-73 8 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

2016

Applications of 19F-NMR in fragment-based drug discovery

Norton, R. S., Leung, E. W. W., Chandrashekaran, I. R. & MacRaild, C. A., 1 Jul 2016, In : Molecules. 21, 7, 13 p., 860.

Research output: Contribution to journalReview ArticleResearchpeer-review

Open Access
File

Feeling nature's PAINS: natural products, natural product drugs, and Pan Assay Interference Compounds (PAINS)

Baell, J. B., 25 Mar 2016, In : Journal of Natural Products. 79, 3, p. 616-628 13 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Guidelines for the Synthesis of Small-Molecule Irreversible Probes Targeting G Protein-Coupled Receptors

Jorg, M. & Scammells, P. J., 19 Jul 2016, In : ChemMedChem. 11, 14, p. 1488-1498 11 p.

Research output: Contribution to journalReview ArticleOtherpeer-review

Multivalent approaches and beyond: novel tools for the investigation of dopamine D2 receptor pharmacology

Kopinathan, A., Scammells, P. J., Lane, J. R. & Capuano, B., 1 Jul 2016, In : Future Medicinal Chemistry. 8, 11, p. 1349-1372 24 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

NMR in structural genomics to increase structural coverage of the protein universe: Delivered by Prof. Kurt Wüthrich on 7 July 2013 at the 38th FEBS Congress in St. Petersburg, Russia

Serrano, P., Dutta, S. K., Proudfoot, A., Mohanty, B., Susac, L., Martin, B., Geralt, M., Jaroszewski, L., Godzik, A., Elsliger, M., Wilson, I. A. & Wüthrich, K., 1 Nov 2016, In : FEBS Journal. 283, 21, p. 3870-3881 12 p.

Research output: Contribution to journalReview ArticleOtherpeer-review

Polymyxins: a new hope in combating Gram-negative superbugs?

Velkov, T., Roberts, K. D., Thompson, P. E. & Li, J., 1 Jun 2016, In : Future Medicinal Chemistry. 8, 10, p. 1017-1025 9 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Targeting bacterial Dsb proteins for the development of anti-virulence agents

Smith, R. P., Paxman, J. J., Scanlon, M. J. & Heras, B., 1 Jul 2016, In : Molecules. 21, 7, 15 p., 811.

Research output: Contribution to journalReview ArticleResearchpeer-review

Open Access
File

The diverse biological properties of the chemically inert noble gases

Winkler, D. A., Thornton, A., Farjot, G. & Katz, I., 1 Apr 2016, In : Pharmacology and Therapeutics. 160, p. 44-64 21 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

2015

Inhibitors of BCATm: a tough nut to crack

Scanlon, M., 24 Sep 2015, In : Journal of Medicinal Chemistry. 58, 18, p. 7138-7139 2 p.

Research output: Contribution to journalReview ArticleOtherpeer-review

2004

A1 adenosine receptor agonists: Medicinal chemistry and therapeutic potential

Hutchinson, S. A. & Scammells, P. J., 12 Jul 2004, In : Current Pharmaceutical Design. 10, 17, p. 2021-2039 19 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Bayesian neural nets for modeling in drug discovery

Winkler, D. A. & Burden, F. R., May 2004, In : Drug Discovery Today: BIOSILICO. 2, 3, p. 104-111 8 p.

Research output: Contribution to journalReview ArticleOther

1999

Chemical interactions of α-bromoacrylamide reactive dyes with wool

Church, J. S., Davie, A. S., Scammells, P. J. & Tucker, D. J., 25 Nov 1999, In : Review of Progress in Coloration and Related Topics. 29, p. 85-93 9 p.

Research output: Contribution to journalReview ArticleResearchpeer-review