Skip to main content Skip to navigation

[University home]

School of Pharmacy and Pharmaceutical Sciences

Dr Richard Bryce BSc, PhD, FRSC CChem

Photograph of Richard Bryce

Senior Lecturer in Biomedicinal Chemistry

 

Research

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

 

Teaching

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

 

Biography

Richard Bryce heads up the computational-aided drug design group in the School of Pharmacy.  He is a Senior Lecturer 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 secretary of the Molecular Graphics and Modelling Society.

 

Qualifications

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

Selected publications

2011

  • Daniel Mucs, Richard A. Bryce, Pascal Bonnet. (2011). Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors. J Comput Aided Mol Des, eScholarID:144158 | DOI:10.1007/s10822-011-9442-0
  • Mark S. Dunstan, John Barnes, Matthew Humphries, Roger C. Whitehead, Richard A. Bryce. (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, 6597-6611. eScholarID:144151 | DOI:10.1021/jm200416e
  • Mehdi Rajabi, David Mansell, Sally Freeman and Richard A. Bryce. (2011). Structure-activity relationship of 2,4,5-trioxoimidazolidines as inhibitors of thymidine phosphorylase. European Journal of Medicinal Chemistry, 46, 1165-1171. eScholarID:126029 | DOI:10.1016/j.ejmech.2011.01.035
  • Qiantao Wang and Richard A. Bryce. (2011). Accounting for non-optimal interactions in molecular recognition: a study of ion–p complexes using a QM/MM model with a dipole-polarisable MM region. Phys. Chem. Chem. Phys, 13, 19401-19408. eScholarID:144162 | DOI:10.1039/C1CP21944H
  • Richard A Bryce. (2011). Physics-based scoring of protein-ligand interactions: explicit polarizability, quantum mechanics and free energies. Future Med Chem, 3(6), 683-698. eScholarID:132535 | DOI:10.1007/s10822-011-9442-0
  • Richard A Bryce. (2011). Stoichiometry and Folding of Linear Polypeptides – Reading Between the Lines. Journal of Biomolecular Structure & Dynamics, 28(4), 647-648. eScholarID:98760
  • Richard A Bryce. (2011). Ask the experts: focus on computational chemistry. Future Med Chem, 3(8), 911. eScholarID:144188 | DOI:10.4155/FMC.11.57

2010

  • Anitha Ramraj, Rajesh K. Rajua Qiantao Wang, Ian H. Hillier, Richard A. Bryce, Mark A. Vincenta. (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, 321-325. eScholarID:98235 | DOI:10.1016/j.jmgm.2010.07.004
  • Christopher J. Morrow, Mohammad Ghattas, Christopher Smith, Heinz Bönisch, Richard A. Bryce,D. Mark Hickinson, Tim P. Green, and Caroline Dive. (2010). Src Family Kinase Inhibitor Saracatinib (AZD0530) Impairs Oxaliplatin Uptake in Colorectal Cancer Cells and Blocks Organic Cation Transporters. Cancer Research: American Association for Cancer Research, 70(14), 5931-5941. eScholarID:86921 | DOI:10.1158/0008-5472.CAN-10-0694
  • David Mansell, Nicolás Veiga, Julia Torres, Laura L. Etchells, Richard A. Bryce, Carlos Kremer, Sally Freeman. (2010). Conformational Study Of The Natural Iron Chelator Myo-Inositol 1,2,3-Trisphosphate Using Restrained/Flexible Analogues And Computational Analysis. Tetrahedron, 66, 8949-8957. eScholarID:93003 | DOI:10.1016/j.tet.2010.09.033
  • F.L. Mitchell, S.M. Miles, J. Neres, E.V. Bichenkova, R.A. Bryce. (2010). Tryptophan as a molecular shovel in the glycosyl transfer activity of Trypanosoma cruzi Trans-sialidase. Biophysical Journal, 98, L38-L40. eScholarID:83668 | DOI:10.1016/j.bpj.2010.01.006
  • KA Nolan, MP Humphries, RA Bryce, IJ Stratford. (2010). Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2. Bioorg. Med Chem Lett, 20, 2832-2836. eScholarID:85097 | DOI:10.1016/j.bmcl.2010.03.051
  • RK Raju, IH Hillier, NA Burton, MA Vincent, S Doudou, RA Bryce. (2010). The effects of Perfluorination on Carbohydrate-pi Interactions: computational studies of the interaction of Benzene and Hexafluorobenzene with Fucose and Cyclodextrin. Phys.Chem. Chem Phys, 12, 7959-7967. eScholarID:85094 | DOI:10.1039/c002058c

2009

  • Fong P, McNamara J, Hillier I, Bryce RA. (2009). Assessment of QM/MM scoring functions for molecular docking to HIV-1 protease. J Chem Inf Model, 49( 4), 913-24. eScholarID:1d19298 | DOI:10.1021/ci800432s
  • Mitchell F, Frank F, Marks G, Suzuki M, Douglas KT, Bryce RA. (2009). Molecular dynamics study of chemically engineered green fluorescent protein mutants: Comparison of intramolecular fluorescence resonance energy transfer rate. Proteins, 75( 1), 28-39. eScholarID:1d18711 | DOI:10.1002/prot.22218
  • Neres, J, Brewer, M, Ratier, L, Botti, H, Buschiazzo, A, Edwards, P, Mortenson, P, Charlton, M, Alzari, P, Frasch, A, Bryce, RA, Douglas, KT. (2009). Discovery of novel inhibitors of Trypanosoma cruzitrans-sialidase from in silico screening. Bioorg Med Chem Lett, 19( 3), 589-96. eScholarID:1d18710 | DOI:10.1016/j.bmcl.2008.12.065

2008

  • Mansell D., Rattray N., Etchells L., Schwalbe C., Blake A., Bichenkova E.V., Bryce R.A., Barker C., Díaz A., Kremer C., Freeman S. (2008). Fluorescent probe: complexation of Fe(3+) with the myo-inositol 1,2,3-trisphosphate motif. Chem. Comm. (Camb), 41, 5161-5163 . eScholarID:1d18030 | DOI:10.1039/b809238a
  • Neres J, Bryce RA, Douglas KT. (2008). Rational drug design in parasitology: trans-sialidase as a case study for Chagas disease. Drug Discovery Today, 13[3/4], 110-117. eScholarID:1d16969
  • Teoh T Chong, Thorsten Heidelberg, Rauzah Hashim, Bryce RA. (2008). Computer Simulation of a Hexagonal Assembly for a Branched Chain Glycolipid. Malaysian Journal of Science, 27, 75-82. eScholarID:1d21225

2007

  • Gould IR, Bettley HA, Bryce RA. (2007). Correlated ab initio quantum chemical calculations of di- and trisaccharide conformations. J Comput Chem, 28, 1965-1973. eScholarID:1d15868 | DOI:10.1002/jcc.20738
  • Nolan, K, Zhao, H, Faulder, P, Frenkel, A, Timson, D, Siegel, D, Ross, D, Burke, T, Stratford, IJ, Bryce, RA. (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. J Med Chem, 50( 25), 6316-25. eScholarID:1d16934

2006

  • Chong TT, Hashim R, Bryce RA. (2006). Molecular dynamics simulation of monoalkyl glycoside micelles in aqueous solution: influence of carbohydrate headgroup stereochemistry. Journal of Physical Chemistry B, 110, 4978-4984. eScholarID:1d13114 | DOI:10.1021/jp065878c
  • Dimelow RJ, Bryce RA, Hillier IH, Burton NA. (2006). Exploring reaction pathways with transition path and umbrella sampling: application to methyl maltoside. Journal of Chemical Physics, 124, eScholarID:1d13113

2005

  • Bonnet P, Bryce RA. (2005). Scoring binding affinity of multiple ligands using implicit solvent and a single molecular dynamics trajectory: Application to Influenza neuraminidase. Journal of Molecular Graphics and Modelling, 24, 147-156. eScholarID:1d11481 | DOI:10.1016/j.jmgm.2005.08.006
  • Reigan P, Edwards, PN, Gbaj A, Cole C, Barry ST, Page KM, Ashton SE, Luke RW, Douglas, KT, Stratford, IJ, Jaffar, M, Bryce, RA, Freeman, S. (2005). Aminoimidazolylmethyluracil analogues as potent inhibitors of thymidine phosphorylase and their bioreductive nitroimidazolyl prodrugs. Journal of Medicinal Chemistry, 48, 392-402. eScholarID:1d11542 | DOI:10.1021/jm049494r

2004

  • Bonnet P, Bryce RA. (2004). Molecular dynamics and free energy analysis of neuraminidase-ligand interactions. Protein Science, 13, 946-957. eScholarID:1d8863
  • McNamara JP, Muslim A, Abdel-Aal H, Wang H, Mohr M, Hillier IH, Bryce RA. (2004). Towards a quantum mechanical force field for carbohydrates: a reparametrized semi-empirical MO approach. Chemical Physics Letters, 394, 429-436. eScholarID:1d10188 | DOI:10.1016/j.cplett.2004.07.037

View all Publications

Top of page

| Skip to main content | Skip to navigation | Skip to Search |