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Dr Richard Bryce BSc, PhD, FRSC CChem

Photograph of Richard Bryce

Reader in Biomedicinal Chemistry


The work in Richard Bryce's group is aimed at developing computational models to improve the accuracy with which molecular processes are described and understood in the condensed phase and then to integrate and employ these methods in the drug design and development process, involving collaboration with medicinal chemists, biochemists and biologists.

His research interests involve the development and application of accurate and efficient computational methods for structure-based drug design.  A major focus of his work is the theoretical investigation of carbohydrate structure, energetics, dynamics and reactivity.  This requires accurate treatment of aqueous solvent, which as led to the development and application of solvent models to carbohydrate analogue systems.  The group employs a variety of computational techniques, including molecular simulation and hybrid quantum mechanical (QM)/molecular mechanical (MM) models


Physics of Intermolecular Forces, Protein-Ligand Interactions, Computational Aspects of Rational Drug Design (Molecular Simulation, De Novo Design, Docking, Virtual Screening, QSAR)


Richard Bryce heads up the computational-aided drug design group in the School of Pharmacy.  He is a Reader in Biomedicinal Chemistry, having read chemistry at St. Andrews University (BSc, 1995) and computational chemistry at Manchester University (PhD, 1998).  He was a Robert Lincoln MacNeil scholar at the University of Pennsylvania (1992-1993) and a Ramsay Memorial Fellow at the University of Manchester (1999-2001).  His work receives support from a variety of sources, including EPSRC, The Wellcome Trust, MRC, BBSRC and the Royal Society.  He is a fellow of the Royal Society of Chemistry and chair of the Molecular Graphics and Modelling Society.


  • 2005 - FRSC CChem
  • 1998 - MRSC CChem
  • 1998 - PhD(University of Manchester)
  • 1995 - BSc(University of St Andrews)

Selected publications





  • Bonnet, P., Mucs, D., & Bryce, R. A. (2012).

    Targeting the inactive conformation of protein kinases: Computational screening based on ligand conformation. MedChemComm, 3(4), 434-440. DOI:10.1039/c1md00256b. Publication link: e98deed7-0b54-4906-abf1-0f36dc5cdef7
  • Manickam Achari, V., Nguan, H. S., Heidelberg, T., Bryce, R. A., & Hashim, R. (2012).

    Molecular dynamics study of anhydrous lamellar structures of synthetic glycolipids: Effects of chain branching and disaccharide headgroup. Journal of Physical Chemistry B, 116(38), 11626-11634. DOI:10.1021/jp302292s. Publication link: 48805c66-0c96-4577-8083-5a0ac2cccec3 | PubMed:22967067


  • Dunstan, M. S., Barnes, J., Humphries, M., Whitehead, R. C., Bryce, R. A., Leys, D., ... Nolan, K. A. (2011).

    Novel inhibitors of NRH:Quinone oxidoreductase 2 (NQO2): Crystal structures, biochemical activity, and intracellular effects of imidazoacridin-6-ones. Journal of Medicinal Chemistry, 54(19), 6597-6611. DOI:10.1021/jm200416e. Publication link: a173c10d-9814-498f-a63a-94bf7a454fea | PubMed:21859103
  • Wang, Q., & Bryce, R. A. (2011).

    Accounting for non-optimal interactions in molecular recognition: A study of ion-π complexes using a QM/MM model with a dipole-polarisable MM region. Physical Chemistry Chemical Physics, 13(43), 19401-19408. DOI:10.1039/c1cp21944h. Publication link: ceceb2d9-de00-4e0e-b8f5-5019caf7ab21


  • Bruce, N. J., & Bryce, R. A. (2010).

    Ab initio protein folding using a cooperative swarm of molecular dynamics trajectories. Journal of Chemical Theory and Computation, 6(7), 1925-1930. DOI:10.1021/ct100060t. Publication link: 678baf9a-3b4a-4364-8fbd-200d0de6b544
  • Ramraj, A., Raju, R. K., Wang, Q., Hillier, I. H., Bryce, R. A., & Vincent, M. A. (2010).

    An evaluation of the GLYCAM06 and MM3 force fields, and the PM3-D molecular orbital method for modelling prototype carbohydrate-aromatic interactions. Journal of Molecular Graphics and Modelling, 29(3), 321-325. DOI:10.1016/j.jmgm.2010.07.004. Publication link: b5b164da-0473-4d31-9f8c-61651d628ae7


  • Fong, P., McNamara, J. P., Hillier, I. H., & Bryce, R. A. (2009).

    Assessment of QM/MM scoring functions for molecular docking to HIV-1 protease. Journal of Chemical Information and Modeling, 49(4), 913-924. DOI:10.1021/ci800432s. Publication link: f82bd784-088d-435c-858a-016b529dec46
  • Neres, J., Brewer, M. L., Ratier, L., Botti, H., Buschiazzo, A., Edwards, P. N., ... Douglas, K. T. (2009).

    Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening. Bioorganic and Medicinal Chemistry Letters, 19(3), 589-596. DOI:10.1016/j.bmcl.2008.12.065. Publication link: a9b6c0f7-bd2e-49f5-81cd-e879e947ec41


  • Mansell, D., Rattray, N., Etchells, L. L., Schwalbe, C. H., Blake, A. J., Bichenkova, E. V., ... Freeman, S. (2008).

    Fluorescent probe: Complexation of Fe3+with the myo-inositol 1,2,3-trisphosphate motif. Chemical Communications, (41), 5161-5163. DOI:10.1039/b809238a. Publication link: 3bb447d8-0e90-4fce-b071-fc3451af4ece
  • Neres, J., Bryce, R. A., & Douglas, K. T. (2008).

    Rational drug design in parasitology: trans-sialidase as a case study for Chagas disease. Drug Discovery Today, 13(3-4), 110-117. DOI:10.1016/j.drudis.2007.12.004. Publication link: 57e502b3-3e6a-4f1a-a706-3736f62a0251


  • Gould, I. R., Bettley, H. A. A., & Bryce, R. A. (2007).

    Correlated Ab Initio quantum chemical calculations of Di- and trisaccharide conformations. Journal of Computational Chemistry, 28(12), 1965-1973. DOI:10.1002/jcc.20738. Publication link: 6090fd27-734f-480e-ace5-894b21dce5b1
  • Nolan, K. A., Zhao, H., Faulder, P. F., Frenkel, A. D., Timson, D. J., Siegel, D., ... Bryce, R. A. (2007).

    Coumarin-based inhibitors of human NAD(P)H:Quinone oxidoreductase-1. Identification, structure-activity, off-target effects and in vitro human pancreatic cancer toxicity. Journal of Medicinal Chemistry, 50(25), 6316-6325. DOI:10.1021/jm070472p. Publication link: 7641c2ce-0333-48c3-9a8a-9abef20c4f09 | PubMed:17999461

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