Items where Author is "Durrant, Marcus"

Delpe Acharige, Anjana, Brennan, Mark, Lauder, Kate, McMahon, Fiona, Odebunmi, Adesola and Durrant, Marcus (2018) Computational insights into the inhibition of β-haematin crystallization by antimalarial drugs. Dalton Transactions, 47 (43). pp. 15364-15381. ISSN 1477-9226

Huang, Tzu-Ping, Chen, Hui-Fen, Liu, Meng-Chen, Chin, Chih-Hao, Durrant, Marcus, Lee, Yin-Yu and Wu, Yu-Jong (2017) Direct infrared observation of hydrogen chloride anions in solid argon. The Journal of Chemical Physics, 147 (11). p. 114301. ISSN 0021-9606

Martin, Glenroy, Narvaez, Javier, Bulmer, Rachel and Durrant, Marcus (2016) Biotransformation and molecular docking studies of aromatase inhibitors. Steroids, 113. pp. 95-102. ISSN 0039-128X

Durrant, Marcus (2016) Reply to the ‘Comment on “A quantitative definition of hypervalency”’ by R. D. Harcourt and T. M. Klapötke, Chem. Sci., 2016,7, DOI: 10.1039/C5SC04866D. Chemical Science, 7 (5). pp. 3448-3449. ISSN 2041-6520

Daniels, Ruth, Culham, Stacey, Hunter, Michael, Durrant, Marcus, Probert, Michael, Clegg, William, Williams, Gareth and Kozhevnikov, Valery (2016) When two are better than one: bright phosphorescence from non-stereogenic dinuclear iridium(iii) complexes. Dalton Transactions, 45 (16). pp. 6949-6962. ISSN 1477-9226

Durrant, Marcus (2015) A quantitative definition of hypervalency. Chemical Science, 6 (11). pp. 6614-6623. ISSN 2041-6539

Acharige, Anjana and Durrant, Marcus (2014) An atomic scale mechanism for the antimalarial action of chloroquine from density functional theory calculations. Transition Metal Chemistry, 39 (7). pp. 721-726. ISSN 0340-4285

Durrant, Marcus (2014) A computational study of ligand binding affinities in iron(iii) porphine and protoporphyrin IX complexes. Dalton Transactions, 43. pp. 9754-9765. ISSN 1477-9226

Vincent, Kevin and Durrant, Marcus (2013) A structural and functional model for human bone sialoprotein. Journal of Molecular Graphics and Modelling, 39. pp. 108-117. ISSN 1093-3263

Culham, Stacey, Lanoe, Pierre-Henri, Whittle, Victoria, Durrant, Marcus, Williams, Gareth and Kozhevnikov, Valery (2013) Highly Luminescent Dinuclear Platinum(II) Complexes Incorporating Bis-Cyclometallating Pyrazine-Based Ligands: A Versatile Approach to Efficient Red Phosphors. Inorganic Chemistry, 52 (19). pp. 10992-11003. ISSN 1520-510X

Deary, Michael, Durrant, Marcus and Davies, Martin (2013) A kinetic and theoretical study of the borate catalysed reactions of hydrogen peroxide: the role of dioxaborirane as the catalytic intermediate for a wide range of substrates. Organic & Biomolecular Chemistry, 11. pp. 309-317. ISSN 1477-0520

Durrant, Marcus, Davies, Martin and Deary, Michael (2011) Dioxaborirane: a highly reactive peroxide that is the likely intermediate in borate catalysed electrophilic reactions of hydrogen peroxide in alkaline aqueous solution. Organic & Biomolecular Chemistry, 9 (20). pp. 7249-7254. ISSN 1477-0520

Chan, Poh Yin, Tong, Chi Ming and Durrant, Marcus (2011) Estimation of boiling points using density functional theory with polarized continuum model solvent corrections. Journal of Molecular Graphics and Modelling, 30. pp. 120-128. ISSN 1093-3263

Kozhevnikov, Valery, Durrant, Marcus and Williams, Gareth (2011) Highly Luminescent Mixed-Metal Pt(II)/Ir(III) Complexes: Bis-Cyclometalation of 4,6-Diphenylpyrimidine As a Versatile Route to Rigid Multimetallic Assemblies. Inorganic Chemistry, 50 (13). pp. 6304-6313. ISSN 0020-1669

Haddow, Chris, Perry, Justin, Durrant, Marcus and Faith, Joe (2011) Predicting functional residues of protein sequence alignments as a feature selection task. International Journal of Data Mining in Bioinformatics, 5 (6). pp. 691-705. ISSN 1748-5673

Gilson, Ronan and Durrant, Marcus (2009) Estimation of the pKa values of water ligands in transition metal complexes using density functional theory with polarized continuum model solvent corrections. Dalton Transactions, 46. pp. 10223-10230. ISSN 1477-9226

Martin, Glenroy, Durrant, Marcus and Reese, Paul (2008) A predictive cytochrome P450 monooxygenase functional model for generic hydroxylation by rhizopus oryzae ATCC 11145. Journal of Theoretical and Computational Chemistry, 7 (3). pp. 421-433. ISSN 0219-6336

Durrant, Marcus, Francis, Amanda, Lowe, David, Newton, William and Fisher, Karl (2006) Evidence for a dynamic role for homocitrate during nitrogen fixation: The effect of substitution at the α-Lys426 position in MoFe-protein of Azotobacter vinelandii. Biochemical Journal, 397 (2). pp. 261-270. ISSN 0264-6021

Marjani, Katayoun, Davies, Sian, Durrant, Marcus, Hughes, David and Khodamorad, Nejat (2006) Di-μ-pyridine-2-thiolato-bis[chloro(triphenyl-phosphine)copper(I)]. Acta Crystallographica Section E: Structure Reports Online, 62 (4). m744-m746. ISSN 1600-5368

Kodani, Shinya, Lodato, Michael, Durrant, Marcus, Picart, Francis and Willey, Joanne (2005) SapT, a lanthionine-containing peptide involved in aerial hyphae formation in the streptomycetes. Molecular Microbiology, 58 (5). pp. 1368-1380. ISSN 0950-382X

Carol, Rachel, Durrant, Marcus, Linstead, Paul, Takeda, Seiji, Kakesova, Hana, Derbyshire, Paul, Drea, Sinead, Zarsky, Viktor and Dolan, Liam (2005) A RhoGDP dissociation inhibitor spatially regulates growth in root hair cells. Nature, 438 (7070). pp. 1013-1016. ISSN 0028-0836

Navarro-Peran, Enma, Durrant, Marcus, Cabezas-Herrera, Juan, Garcia-Canovas, Francisco, Thornley, Roger and Rodriguez-López, José Neptuno (2005) The antifolate activity of tea catechins. Cancer Research, 65 (6). pp. 2059-2064. ISSN 0008-5472

Wu, Ai-Jiuan, Durrant, Marcus, Andriotis, Vasilios and Rathjen, John P. (2004) A patch of surface-exposed residues mediates negative regulation of immune signaling by tomato Pto kinase. Plant Cell, 16 (10). pp. 2809-2821. ISSN 1040-4651

Kodani, Shinya, Durrant, Marcus, Hudson, Michael, Buttner, Mark, Nodwell, Justin and Willey, Joanne (2004) The SapB morphogen is a lantibiotic-like peptide derived from the product of the developmental gene ramS in Streptomyces coelicolor. Proceedings of the National Academy of Sciences of the United States of America, 101 (31). pp. 11448-11453. ISSN 0027-8424