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SUTTHIBUTPONG, THANA, MATEK, CHRISTIAN, BENHAM, CRAIG, SLADE, GABRIEL G., NOY, AGNES, LAUGHTON, CHARLES, DOYE, JONATHAN P. K., LOUIS, ARD A. and HARRIS, SARAH A., 2016. Long-range correlations in the mechanics of small DNA circles under topological stress revealed by multi-scale simulation NUCLEIC ACIDS RESEARCH. 44(19), 9121-9130 LU, TIANGONG, LAUGHTON, CHARLES A., WANG, SHUDONG and BRADSHAW, TRACEY D., 2015. In Vitro Antitumor Mechanism of (E)-N-(2-methoxy-5-(((2,4,6-trimethoxystyryl)sulfonyl)methyl)pyridin-3-yl)methanesulfonamide Molecular Pharmacology. 87(1), 18-30 MACKENZIE, R., BOOTH, J., ALEXANDER, C., GARNETT, M. C. and LAUGHTON, C. A., 2015. Multiscale Modeling of Drug-Polymer Nanoparticle Assembly Identifies Parameters Influencing Drug Encapsulation Efficiency Journal of Chemical Theory and Computation. 11(6), 2705-2713 HONG, WEI, LI, JINGYANG, LAUGHTON, CHARLES A., YAP, LEE FAH, PATERSON, IAN C. and WANG, HAO, 2014. Investigating the binding preferences of small molecule inhibitors of human protein arginine methyltransferase 1 using molecular modelling Journal of Molecular Graphics & Modelling. 51, 193-202 RANNOU, O., LECHATELIER, E., LARSON, M., NOURI, H., DALMAIS, B., LAUGHTON, C., JANNIERE, L. and SOULTANAS, P., 2013. Functional interplay of DnaE polymerase, DnaG primase and DnaC helicase within a ternary complex, and primase to polymerase hand-off during lagging strand DNA replication in Bacillus subtilis Nucleic Acids Research. 41(10), 5303-5320 GARTON M and LAUGHTON C, 2013. A Comprehensive Model for the Recognition of Human Telomeres by TRF1. Journal of molecular biology. 425(16), 2910-21 VERNALL AJ, STODDART LA, BRIDDON SJ, NG HW, LAUGHTON CA, DOUGHTY SW, HILL SJ and KELLAM B, 2013. Conversion of a non-selective adenosine receptor antagonist into A3-selective high affinity fluorescent probes using peptide-based linkers. Organic & biomolecular chemistry. 11(34), 5673-82 CHAUDHURI, RIMA, CARRILLO, OLIVER, LAUGHTON, CHARLES ANTHONY and OROZCO, MODESTO, 2012. Application of Drug-Perturbed Essential Dynamics/Molecular Dynamics (ED/MD) to Virtual Screening and Rational Drug Design JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 8(7), 2204-2214 ZHANG J, STEVENS M.F.G, HUMMERSONE M, MADHUSUDAN S, LAUGHTON C.A and BRADSHAW T.D., 2011. Certain imidazotetrazines escape O6-methylguanine-DNA methyltransferase and mismatch repair Oncology. In Press, (In Press.)
HALL, GARETH, BRADSHAW, TRACEY D, LAUGHTON, CHARLES A, STEVENS, MALCOLM F and EMSLEY, JONAS, 2011. Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464. Protein science : a publication of the Protein Society. 20(1), 210-5 JOHNSON, LUCY A, BYRNE, HELEN M, WILLIS, ANNE E and LAUGHTON, CHARLES A, 2011. An integrative biological approach to the analysis of tissue culture data: application to the antitumour agent RHPS4. Integrative biology : quantitative biosciences from nano to macro.
MITCHELL, J S, LAUGHTON, C A and HARRIS, SARAH A, 2011. Atomistic simulations reveal bubbles, kinks and wrinkles in supercoiled DNA. Nucleic acids research. 39(9), 3928-38 MOHAMMED, M.Z., VYJAYANTI, V.N., LAUGHTON, C.A., DEKKER, L.V., FISCHER, P.M., WILSON, D.M., ABBOTTS, R., SHAH, S., PATEL, P.M., HICKSON, I.D. and MADHUSUDAN, S., 2011. Development and evaluation of human AP endonuclease inhibitors in melanoma and glioma cell lines British Journal of Cancer. 104(4), 653-663 DUDUIALĂ, C.-I., WATTIS, J.A.D. and LAUGHTON, C.A., 2011. Self-organised criticality in base-pair breathing in DNA with a defect Physica D: Nonlinear Phenomena. 240(16), 1254-1261 ZHANG, JIHONG, STEVENS, MALCOLM F G, LAUGHTON, CHARLES A, MADHUSUDAN, SRINIVASAN and BRADSHAW, TRACEY D, 2010. Acquired resistance to temozolomide in glioma cell lines: molecular mechanisms and potential translational applications. Oncology. 78(2), 103-14 WANG, HAO and LAUGHTON, CHARLES A, 2010. Molecular modelling methods to quantitate drug-DNA interactions. Methods in molecular biology (Clifton, N.J.). 613, 119-31 LAVERY, R., ZAKRZEWSKA, K., BEVERIDGE, D., BISHOP, T.C., CASE, D.A., CHEATHAM, T., DIXIT, S., JAYARAM, B., LANKAS, F., LAUGHTON, C., MADDOCKS, J.H., MICHON, A., OSMAN, R., OROZCO, M., PEREZ, A., SINGH, T., SPACKOVA, N. and SPONER, J., 2010. A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA Nucleic Acids Research. 38(1), 299-313 DUDUIALA, C.-I., WATTIS, J.A.D., DRYDEN, I.L. and LAUGHTON, C.A., 2009. Nonlinear breathing modes at a defect site in DNA (15 pages) Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. VOL 80(NUMB 6), 061906
COOKSON, J C and LAUGHTON, C A, 2009. The levels of telomere-binding proteins in human tumours and therapeutic implications. European journal of cancer (Oxford, England : 1990). 45(4), 536-50
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WITHERS, I.M., MAZANETZ, M.P., WANG, H., FISCHER, P.M. and LAUGHTON, C.A., 2008. Active site pressurization: a new tool for structure-guided drug design and other studies of protein flexibility Journal of Chemical Information and Modeling. 48(7), 1448-1454 MAZANETZ, M.P., WITHERS, I.M., LAUGHTON, C.A. and FISCHER, P.M., 2008. Exploiting glycogen synthase kinase 3beta flexibility in molecular recognition. Biochemical Society Transactions. 36(1), 55-58
LIVERPOOL, T.B., HARRIS, S.A. and LAUGHTON, C.A., 2008. Supercoiling and denaturation of DNA loops Physical Review Letters. 100(23), 238103 LAUGHTON, CHARLES A, LUISI, BEN F, PRATAP, J VENKATESH and CALLADINE, CHRIS R, 2008. A potential molecular switch in an alpha-helical coiled coil. Proteins. 70(1), 25-30
GIRARD, PETER M, NIKJOO, HOOSHANG and LAUGHTON, CHARLES, 2008. Simulation of (125)I-based radioprobing experiments to study DNA quadruplex structure and topology. International Journal of Radiation Biology. 84(12), 1045-9 CHENG, MAI-KIM, MODI, CHETNA, COOKSON, JENNIFER C, HUTCHINSON, IAN, HEALD, ROBERT A, MCCARROLL, ANDREW J, MISSAILIDIS, SOTIRIS, TANIOUS, FARIAL, WILSON, W DAVID, MERGNY, JEAN-LOUIS and LAUGHTON, CHARLES, 2008. Antitumor polycyclic acridines. 20. Search for DNA quadruplex binding selectivity in a series of 8,13-dimethylquino[4,3,2-kl]acridinium salts: telomere-targeted agents. Journal of Medicinal Chemistry. 51(4), 963-75 WARNER,, VADOLIA,, LAUGHTON,, KERR, and DOUGHTY,, 2007. Modelling the restoration of wild-type dynamic behaviour in DeltaF508-CFTR NBD1 by 8-cyclopentyl-1,3-dipropylxanthine. Journal of Molecular Graphics and Modelling. 26, 691-699 WANG, HAO and LAUGHTON, CHARLES A, 2007. Molecular modelling methods for prediction of sequence-selectivity in DNA recognition. Methods (San Diego, Calif.). 42(2), 196-203
PÉREZ, ALBERTO, MARCHÁN, IVÁN, SVOZIL, DANIEL, SPONER, JIRI, CHEATHAM, THOMAS E, LAUGHTON, CHARLES A and OROZCO, MODESTO, 2007. Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformers. Biophysical Journal. 92(11), 3817-29 AL-ANIZY, M., HORLEY, N.J., KUO, C.-W.S., GILLETT, L.C., LAUGHTON, C.A., KENDALL, D., BARRETT, D.A., PARKER, T. and BELL, D.R., 2006. Cytochrome P450 Cyp4x1 is a major P450 protein in mouse brain FEBS Journal. 273(5), 936-947 SHAH, M., WELLS, G., BRADSHAW, T. D., LAUGHTON, C. A., STEVENS, M. F. G. and WESTWELL, A. D., 2006. Antitubercular Properties of Substituted Hydroxycyclohexadienones LETTERS IN DRUG DESIGN AND DISCOVERY. VOL 3(NUMB 6), 419-423 HALL, GARETH, SHAH, MANISH, MCEWAN, PAUL A, LAUGHTON, CHARLES, STEVENS, MALCOLM, WESTWELL, ANDREW and EMSLEY, JONAS, 2006. Structure of Mycobacterium tuberculosis thioredoxin C. Acta Crystallographica. Section D: Biological Crystallography. 62(Pt 12), 1453-7 WELLS, GEOFF, MARTIN, CHRISTOPHER R H, HOWARD, PHILIP W, SANDS, ZARA A, LAUGHTON, CHARLES A, TIBERGHIEN, ARNAUD, WOO, CHI KIT, MASTERSON, LUKE A, STEPHENSON, MARISSA J, HARTLEY, JOHN A and JENKINS, TEREN, 2006. Design, synthesis, and biophysical and biological evaluation of a series of pyrrolobenzodiazepine-poly(N-methylpyrrole) conjugates. Journal of Medicinal Chemistry. 49(18), 5442-61 MEYER, T, FERRER-COSTA, C, PEREZ, A, RUEDA, M, BIDON-CHANAL, A, LUQUE, FJ, LAUGHTON, CA and OROZCO, M, 2006. Essential dynamics: A tool for efficient trajectory compression and management Journal of Chemical Theory and Computation. 2, 251-258 HEWETT, PW, DAFT, EL, LAUGHTON, CA, AHMAD, S, AHMED, A and MURRAY, JC, 2006. Selective inhibition of the human Tie-1 promoter with triplex-forming oligonucleotides targeted to Ets binding sites Molecular Medicine. 12, 8-16 NIKJOO, H, GIRARD, P, CHARLTON, D E, HOFER, K G and LAUGHTON, C A, 2006. Auger electrons--a nanoprobe for structural, molecular and cellular processes. Radiation Protection Dosimetry. 122(1-4), 72-9 MURDOCK, S.E., TAI, K., NG, M.J., JOHNSTON, S., WU, B., FANGOHR, H., LAUGHTON, C.A., ESSEX, J.W. and SANSOM, M.S.P, 2006. Quality assurance for biomolecular simulations Journal of Chemical Theory and Computation. 2, 1477-1481 FURMONAVICIENE, R., SUTTON, B.J., GLASER, F., LAUGHTON, C.A., JONES, N., SEWELL, H.F. and SHAKIB, F., 2005. An attempt to define allergen-specific molecular surface features: a bioinformatic approach Bioinformatics. 21(23), 4201-4204 BRADSHAW, T.D., MATTHEWS, C.S., COOKSON, J., CHEW, E.-H., SHAH, M., BAILEY, K., MONKS, A., HARRIS, E., WESTWELL, A.D., WELLS, G., LAUGHTON, C.A. and STEVENS, M.FG., 2005. Elucidation of thioredoxin as a molecular target for antitumor quinols Cancer Research. 65(9), 3911-3919 COOKSON, J.C., DAI, F., SMITH, V., HEALD, R.A., LAUGHTON, C.A., STEVENS, M.F.G. and BURGER, A.M., 2005. Pharmacodynamics of the G-quadruplex-stabilizing telomerase inhibitor 3,11-difluoro-6,8,13-trimethyl-8H-quino[4,3,2-kl]acridinium methosulfate (RHPS4) in vitro: activity in human tumor cells correlates with telomere length and can be enhanced, or antagonized, with cytotoxic agents Molecular Pharmacology. 68(6), 1551-1558 BARRATT, ELIZABETH, BINGHAM, RICHARD J, WARNER, DANIEL J, LAUGHTON, CHARLES A, PHILLIPS, SIMON E V and HOMANS, STEVE W, 2005. Van der Waals interactions dominate ligand-protein association in a protein binding site occluded from solvent water. Journal of the American Chemical Society. 127(33), 11827-34 MISSAILIDIS, SOTIRIS, MODI, CHETNA, TRAPANI, VALENTINA, LAUGHTON, CHARLES A and STEVENS, MALCOLM F G, 2005. Antitumor polycyclic acridines. Part 16. Triplex DNA as a target for DNA-binding polycyclic acridine derivatives. Oncology Research. 15(2), 95-105
JHA, SHANTENU, COVENEY, PETER V and LAUGHTON, CHARLES A, 2005. Force field validation for nucleic acid simulations: comparing energies and dynamics of a DNA dodecamer. Journal of Computational Chemistry. 26(15), 1617-27 MALHAM, RICHARD, JOHNSTONE, SARAH, BINGHAM, RICHARD J, BARRATT, ELIZABETH, PHILLIPS, SIMON E V, LAUGHTON, CHARLES A and HOMANS, STEVE W, 2005. Strong solute-solute dispersive interactions in a protein-ligand complex. Journal of the American Chemical Society. 127(48), 17061-7 GRINDON, CHRISTINA, HARRIS, SARAH, EVANS, TOM, NOVIK, KEIR, COVENEY, PETER and LAUGHTON, CHARLES, 2004. Large-scale molecular dynamics simulation of DNA: implementation and validation of the AMBER98 force field in LAMMPS. Philosophical Transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences. 362(1820), 1373-86 RUEDA, MANUEL, CUBERO, ELENA, LAUGHTON, CHARLES A and OROZCO, MODESTO, 2004. Exploring the counterion atmosphere around DNA: what can be learned from molecular dynamics simulations? Biophysical Journal. 87(2), 800-11 LAUGHTON, C. A., GRINDON, C., GIRARD, P. and NIKJOO, H., 2004. The mysteries of telomere structure and recognition: could radioprobing help? International Journal of Radiation Biology. VOL 80(NO 11-12), 805-812 O'BRIEN, S.E., BROWNE, H.L., BRADSHAW, T.D., WESTWELL, A.D., STEVENS, M.F.G. and LAUGHTON, C.A., 2003. Antitumor benzothiazoles. Frontier molecular orbital analysis predicts bioactivation of 2-(4-aminophenyl)benzothiazoles to reactive intermediates by cytochrome P4501A1 Organic & Biomolecular Chemistry. 1(3), 493-497 LEONG, C., O'BRIEN, S.E., LION, C.J., WESTWELL, A.D., LAUGHTON, C.A. and STEVENS, M.F., 2003. Synthesis and characterization of 2-(4-amino-3-methylphenyl)benzothiazole-DNA adducts Proceedings of the American Association for Cancer Research. 44, 1644
HOLMES, V. E., QI, F. M., LAUGHTON, C. A., BELL, D. R., SHAW, P. N. and BARRETT, D. A., 2002. Structure-activity relationships of CYP4A1 Toxicology. VOL 178(NO 1), 43
FAN, M. Q., HOLMES, V., LAUGHTON, C. A., SHAW, P. N., BARRETT, D. A. and BELL, D. R., 2002. Study of the residues in conserved C-helix region of CYP4A1: bacterial expression and mutagenesis Toxicology. VOL 178(NO 1), 42
MISSAILIDIS,S., STANSLAS,J., MODI,C., ELLIS,M.J., ROBINS,R.A., LAUGHTON,C.A. and STEVENS,M.F.G, 2002. Antitumour polycyclic acridines: Part 12. Physical and biological properties of 8,13-diethyl-6-methylquino[4,3,2-k]acridinium iodide: A lead compound in anticancer drug design Oncology Research. 13(3), 175-189
HEALD, ROBERT A, MODI, CHETNA, COOKSON, JENNY C, HUTCHINSON, IAN, LAUGHTON, CHARLES A, GOWAN, SHARON M, KELLAND, LLOYD R and STEVENS, MALCOLM F G, 2002. Antitumor polycyclic acridines. 8.(1) Synthesis and telomerase-inhibitory activity of methylated pentacyclic acridinium salts. Journal of Medicinal Chemistry. 45(3), 590-7 POPE, L.H., DAVIES, M.C., LAUGHTON, C.A., ROBERTS, C.J., TENDLER, S.J.B. and WILLIAMS, P.M., 2001. Force-induced melting of a short DNA double helix European Biophysics Journal. 30(1), 53-62 FAN, M. Q., LAUGHTON, C. A., HOLMES, V., SHAW, P. N., BARRETT, D. A. and BELL, D. R., 2001. Identification of a Key Residue in CYP4A1 for Substrate Binding: Bacterial Expression and Mutagenesis Toxicology. VOL 168(NO 1), 60
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SHIELDS, G. C., LAUGHTON, C. A. and OROZCO, M., 1997. Molecular Dynamics Simulations of the d(TùAùT) Triple Helix Journal of the American Chemical Society. VOL 119(NUMBER 32), 7463-7469 HEWETT, PETER W, DAFT, EMMA L, LAUGHTON, CHARLES A, AHMAD, SHAKIL, AHMED, ASIF and MURRAY, J CLIFFORD, Selective inhibition of the human tie-1 promoter with triplex-forming oligonucleotides targeted to Ets binding sites. Molecular medicine (Cambridge, Mass.). 12(1-3), 8-16