| Year |
Citation |
Score |
| 2021 |
da Rosa G, Grille L, Calzada V, Ahmad K, Arcon JP, Battistini F, Bayarri G, Bishop T, Carloni P, Cheatham Iii T, Collepardo-Guevara R, Czub J, Espinosa JR, Galindo-Murillo R, Harris SA, ... ... Laughton C, et al. Sequence-dependent structural properties of B-DNA: what have we learned in 40 years? Biophysical Reviews. 13: 995-1005. PMID 35059023 DOI: 10.1007/s12551-021-00893-8 |
0.328 |
|
| 2017 |
Di Pietro O, Juárez-Jiménez J, Muñoz-Torrero D, Laughton CA, Luque FJ. Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors. Plos One. 12: e0177683. PMID 28505196 DOI: 10.1371/journal.pone.0177683 |
0.307 |
|
| 2016 |
Sutthibutpong T, Matek C, Benham C, Slade GG, Noy A, Laughton C, K Doye JP, Louis AA, Harris SA. Long-range correlations in the mechanics of small DNA circles under topological stress revealed by multi-scale simulation. Nucleic Acids Research. PMID 27664220 DOI: 10.1093/Nar/Gkw815 |
0.417 |
|
| 2014 |
Pasi M, Maddocks JH, Beveridge D, Bishop TC, Case DA, Cheatham T, Dans PD, Jayaram B, Lankas F, Laughton C, Mitchell J, Osman R, Orozco M, Pérez A, Petkevi?i?t? D, et al. μABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA. Nucleic Acids Research. 42: 12272-83. PMID 25260586 DOI: 10.1093/Nar/Gku855 |
0.421 |
|
| 2013 |
Wang H, Cui J, Hong W, Paterson IC, Laughton CA. The study of interactions between DNA and PcrA DNA helicase by using targeted molecular dynamic simulations. Journal of Molecular Modeling. 19: 4997-5006. PMID 24068309 DOI: 10.1007/s00894-013-2008-4 |
0.323 |
|
| 2013 |
Garton M, Laughton C. A comprehensive model for the recognition of human telomeres by TRF1. Journal of Molecular Biology. 425: 2910-21. PMID 23702294 DOI: 10.1016/J.Jmb.2013.05.005 |
0.425 |
|
| 2013 |
Rannou O, Le Chatelier E, Larson MA, Nouri H, Dalmais B, Laughton C, Jannière L, Soultanas P. 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: 5303-20. PMID 23563155 DOI: 10.1093/Nar/Gkt207 |
0.348 |
|
| 2013 |
Islam B, Sgobba M, Laughton C, Orozco M, Sponer J, Neidle S, Haider S. Conformational dynamics of the human propeller telomeric DNA quadruplex on a microsecond time scale Nucleic Acids Research. 41: 2723-2735. PMID 23293000 DOI: 10.1093/Nar/Gks1331 |
0.554 |
|
| 2012 |
Wang H, Laughton CA. The inhibitory effects of vinylphosphonate-linked thymidine dimers on the unidirectional translocation of PcrA helicase along DNA: a molecular modelling study. Physical Chemistry Chemical Physics : Pccp. 14: 12230-7. PMID 22864246 DOI: 10.1039/c2cp41193h |
0.343 |
|
| 2012 |
Girard PM, Laughton C, Nikjoo H. Determination of DNA structural detail using radioprobing. International Journal of Radiation Biology. 88: 123-8. PMID 21823822 DOI: 10.3109/09553002.2011.611215 |
0.437 |
|
| 2011 |
Mitchell JS, Laughton CA, Harris SA. Atomistic simulations reveal bubbles, kinks and wrinkles in supercoiled DNA. Nucleic Acids Research. 39: 3928-38. PMID 21247872 DOI: 10.1093/nar/gkq1312 |
0.345 |
|
| 2010 |
Wang H, Laughton CA. Molecular modelling methods to quantitate drug-DNA interactions. Methods in Molecular Biology (Clifton, N.J.). 613: 119-31. PMID 19997881 DOI: 10.1007/978-1-60327-418-0_8 |
0.345 |
|
| 2010 |
Lavery R, Zakrzewska K, Beveridge D, Bishop TC, Case DA, Cheatham T, Dixit S, Jayaram B, Lankas F, Laughton C, Maddocks JH, Michon A, Osman R, Orozco M, Perez A, et al. 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: 299-313. PMID 19850719 DOI: 10.1093/Nar/Gkp834 |
0.453 |
|
| 2010 |
Mohammed MZ, Vyjayanti VN, Laughton C, Dekker L, Fischer PM, Wilson DM, Madhusudan S. Abstract 687: Structure-based design, discovery, and pharmacological profiling of human AP endonuclease (APE1) inhibitors for cancer therapy Cancer Research. 70: 687-687. DOI: 10.1158/1538-7445.Am10-687 |
0.351 |
|
| 2009 |
Duduială CI, Wattis JA, Dryden IL, Laughton CA. Nonlinear breathing modes at a defect site in DNA. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 80: 061906. PMID 20365189 DOI: 10.1103/PhysRevE.80.061906 |
0.31 |
|
| 2009 |
Wang H, Laughton CA. Evaluation of molecular modelling methods to predict the sequence-selectivity of DNA minor groove binding ligands. Physical Chemistry Chemical Physics : Pccp. 11: 10722-8. PMID 20145816 DOI: 10.1039/b911702d |
0.316 |
|
| 2008 |
Girard PM, Nikjoo H, Laughton C. Simulation of (125)I-based radioprobing experiments to study DNA quadruplex structure and topology. International Journal of Radiation Biology. 84: 1045-9. PMID 19061128 DOI: 10.1080/09553000802499246 |
0.435 |
|
| 2008 |
Jiranusornkul S, Laughton CA. Destabilization of DNA duplexes by oxidative damage at guanine: implications for lesion recognition and repair. Journal of the Royal Society, Interface. 5: S191-8. PMID 18782724 DOI: 10.1098/rsif.2008.0304.focus |
0.316 |
|
| 2008 |
Liverpool TB, Harris SA, Laughton CA. Supercoiling and denaturation of DNA loops. Physical Review Letters. 100: 238103. PMID 18643548 DOI: 10.1103/Physrevlett.100.238103 |
0.394 |
|
| 2008 |
Cheng MK, Modi C, Cookson JC, Hutchinson I, Heald RA, McCarroll AJ, Missailidis S, Tanious F, Wilson WD, Mergny JL, Laughton CA, Stevens MF. 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: 963-75. PMID 18247546 DOI: 10.1021/Jm070587T |
0.307 |
|
| 2008 |
Harris SA, Laughton CA, Liverpool TB. Mapping the phase diagram of the writhe of DNA nanocircles using atomistic molecular dynamics simulations. Nucleic Acids Research. 36: 21-9. PMID 17984075 DOI: 10.1093/nar/gkm891 |
0.343 |
|
| 2007 |
Harris SA, Laughton CA. A simple physical description of DNA dynamics: quasi-harmonic analysis as a route to the configurational entropy. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 19: 076103. PMID 22251585 DOI: 10.1088/0953-8984/19/7/076103 |
0.318 |
|
| 2007 |
Wang H, Laughton CA. Molecular modelling methods for prediction of sequence-selectivity in DNA recognition. Methods (San Diego, Calif.). 42: 196-203. PMID 17472901 DOI: 10.1016/j.ymeth.2006.09.002 |
0.355 |
|
| 2006 |
Hall G, Shah M, McEwan PA, Laughton C, Stevens M, Westwell A, Emsley J. Structure of Mycobacterium tuberculosis thioredoxin C. Acta Crystallographica. Section D, Biological Crystallography. 62: 1453-7. PMID 17139080 DOI: 10.1107/S0907444906038212 |
0.324 |
|
| 2006 |
Wells G, Martin CRH, Howard PW, Sands ZA, Laughton CA, Tiberghien A, Woo CK, Masterson LA, Stephenson MJ, Hartley JA, Jenkins TC, Shnyder SD, Loadman PM, Waring MJ, Thurston DE. Design, synthesis, and biophysical and biological evaluation of a series of pyrrolobenzodiazepine-poly(N-methylpyrrole) conjugates Journal of Medicinal Chemistry. 49: 5442-5461. PMID 16942018 DOI: 10.1021/Jm051199Z |
0.304 |
|
| 2005 |
Missailidis S, Modi C, Trapani V, Laughton CA, Stevens MF. Antitumor polycyclic acridines. Part 16. Triplex DNA as a target for DNA-binding polycyclic acridine derivatives. Oncology Research. 15: 95-105. PMID 16119007 |
0.365 |
|
| 2005 |
Laughton CA, Grindon C, Girard P, Nikjoo H. The mysteries of telomere structure and recognition: could radioprobing help? International Journal of Radiation Biology. 80: 805-11. PMID 15764387 DOI: 10.1080/09553000400017739 |
0.328 |
|
| 2004 |
Fry JR, Hammond AH, Jassi KL, Bass AE, Bruce G, Laughton C, Shaw PN, Bylov IE, Kovalenko SM. Selectivity of 7-alkoxycoumarins as probe substrates for rat hepatic cytochrome P450 forms is influenced by the substitution pattern on the coumarin nucleus. Xenobiotica; the Fate of Foreign Compounds in Biological Systems. 34: 707-22. PMID 15690760 DOI: 10.1080/00498250400003463 |
0.307 |
|
| 2004 |
Grindon C, Harris S, Evans T, Novik K, Coveney P, Laughton C. Large-scale molecular dynamics simulation of DNA: implementation and validation of the AMBER98 force field in LAMMPS. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 362: 1373-86. PMID 15306456 DOI: 10.1098/Rsta.2004.1381 |
0.393 |
|
| 2004 |
Rueda M, Cubero E, Laughton CA, Orozco M. Exploring the counterion atmosphere around DNA: what can be learned from molecular dynamics simulations? Biophysical Journal. 87: 800-11. PMID 15298889 DOI: 10.1529/biophysj.104.040451 |
0.301 |
|
| 2004 |
Sands ZA, Laughton CA. Molecular Dynamics Simulations of DNA Using the Generalized Born Solvation Model: Quantitative Comparisons with Explicit Solvation Results The Journal of Physical Chemistry B. 108: 10113-10119. DOI: 10.1021/JP048757Q |
0.302 |
|
| 2002 |
Missailidis S, Stanslas J, Modi C, Ellis MJ, Robins RA, Laughton CA, Stevens MF. Antitumor polycyclic acridines. Part 12. Physical and biological properties of 8,13-diethyl-6-methylquino[4,3,2-kl]acridinium iodide: a lead compound in anticancer drug design. Oncology Research. 13: 175-89. PMID 12549627 |
0.334 |
|
| 2001 |
Harris SA, Gavathiotis E, Searle MS, Orozco M, Laughton CA. Cooperativity in drug-DNA recognition: a molecular dynamics study. Journal of the American Chemical Society. 123: 12658-63. PMID 11741431 DOI: 10.1021/Ja016233N |
0.353 |
|
| 2001 |
Bostock-Smith CE, Harris SA, Laughton CA, Searle MS. Induced fit DNA recognition by a minor groove binding analogue of Hoechst 33258: Fluctuations in DNA A tract structure investigated by NMR and molecular dynamics simulations Nucleic Acids Research. 29: 693-702. PMID 11160891 DOI: 10.1093/Nar/29.3.693 |
0.411 |
|
| 2000 |
Cody V, Chan D, Galitsky N, Rak D, Luft JR, Pangborn W, Queener SF, Laughton CA, Stevens MF. Structural studies on bioactive compounds. 30. Crystal structure and molecular modeling studies on the Pneumocystis carinii dihydrofolate reductase cofactor complex with TAB, a highly selective antifolate. Biochemistry. 39: 3556-64. PMID 10736154 DOI: 10.1021/Bi9924563 |
0.321 |
|
| 2000 |
Soliva R, Sherer E, Luque FJ, Laughton CA, Orozco M. Molecular dynamics simulations of PNA·DNA and PNA·RNA duplexes in aqueous solution Journal of the American Chemical Society. 122: 5997-6008. DOI: 10.1021/Ja000259H |
0.304 |
|
| 1999 |
Bostock-Smith CE, Laughton CA, Searle MS. Solution structure and dynamics of the A-T tract DNA decamer duplex d(GGTAATTACC)2: implications for recognition by minor groove binding drugs. The Biochemical Journal. 342: 125-32. PMID 10432309 DOI: 10.1042/Bj3420125 |
0.36 |
|
| 1999 |
Bostock-Smith CE, Giménez-Arnau E, Missailidis S, Laughton CA, Stevens MF, Searle MS. Molecular recognition between a new pentacyclic acridinium salt and DNA sequences investigated by optical spectroscopic techniques, proton nuclear magnetic resonance spectroscopy, and molecular modeling. Biochemistry. 38: 6723-31. PMID 10346892 DOI: 10.1021/Bi9825807 |
0.352 |
|
| 1999 |
Laughton C, Luisi B. The mechanics of minor groove width variation in DNA, and its implications for the accommodation of ligands. Journal of Molecular Biology. 288: 953-963. PMID 10329191 DOI: 10.1006/Jmbi.1999.2733 |
0.415 |
|
| 1999 |
Sherer EC, Harris SA, Soliva R, Orozco M, Laughton CA. Molecular dynamics studies of DNA A-tract structure and flexibility Journal of the American Chemical Society. 121: 5981-5991. DOI: 10.1021/Ja983715Z |
0.349 |
|
| 1998 |
Bostock-Smith CE, Laughton CA, Searle MS. DNA minor groove recognition by a tetrahydropyrimidinium analogue of hoechst 33258: NMR and molecular dynamics studies of the complex with d(GGTAATTACC)2. Nucleic Acids Research. 26: 1660-7. PMID 9512536 DOI: 10.1093/Nar/26.7.1660 |
0.337 |
|
| 1996 |
Bates PJ, Laughton CA, Jenkins TC, Capaldi DC, Roselt PD, Reese CB, Neidle S. Efficient triple helix formation by oligodeoxyribonucleotides containing alpha- or beta-2-amino-5-(2-deoxy-D-ribofuranosyl) pyridine residues. Nucleic Acids Research. 24: 4176-84. PMID 8932369 DOI: 10.1093/Nar/24.21.4176 |
0.397 |
|
| 1996 |
Laughton CA, Tanious F, Nunn CM, Boykin DW, Wilson WD, Neidle S. A crystallographic and spectroscopic study of the complex between d(CGCGAATTCGCG)2 and 2,5-bis(4-guanylphenyl)furan, an analogue of berenil. Structural origins of enhanced DNA-binding affinity. Biochemistry. 35: 5655-61. PMID 8639524 DOI: 10.1021/Bi952162R |
0.531 |
|
| 1996 |
Adzhubei AA, Laughton CA, Neidle S. An approach to protein homology modelling based on an ensemble of NMR structures: application to the Sox-5 HMG-box protein. Protein Engineering. 8: 615-25. PMID 8577691 DOI: 10.1093/Protein/8.7.615 |
0.457 |
|
| 1996 |
Bates PJ, Macaulay VM, McLean MJ, Jenkins TC, Reszka AP, Laughton CA, Neidle S. Characteristics of triplex-directed photoadduct formation by psoralen-linked oligodeoxynucleotides. Nucleic Acids Research. 23: 4283-9. PMID 7501447 DOI: 10.1093/Nar/23.21.4283 |
0.448 |
|
| 1995 |
Hardcastle IR, Rowlands MG, Houghton J, Parr IB, Potter GA, Jarman M, Edwards KJ, Laughton CA, Trent JO, Neidle S. Rationally designed analogues of tamoxifen with improved calmodulin antagonism Journal of Medicinal Chemistry. 38: 241-248. PMID 7830266 DOI: 10.1021/Jm00002A005 |
0.391 |
|
| 1995 |
Bates PJ, Dosanjh HS, Kumar S, Jenkins TC, Laughton CA, Neidle S. Detection and kinetic studies of triplex formation by oligodeoxynucleotides using real-time biomolecular interaction analysis (BIA). Nucleic Acids Research. 23: 3627-32. PMID 7478988 DOI: 10.1093/Nar/23.18.3627 |
0.438 |
|
| 1995 |
Burke DF, Laughton CA, Snook CF, Neidle S, Potter GA, Jarman M. Active-site conformation of 17-(3-pyridyl)androsta-5,16-dien-3β-ol, a potent inhibitor of the P450 enzyme C17α-hydroxylase/C17-20 lyase Bioorganic and Medicinal Chemistry Letters. 5: 1125-1130. DOI: 10.1016/0960-894X(95)00178-V |
0.4 |
|
| 1993 |
Laughton CA, Zvelebil MJ, Neidle S. A detailed molecular model for human aromatase. The Journal of Steroid Biochemistry and Molecular Biology. 44: 399-407. PMID 8476753 DOI: 10.1016/0960-0760(93)90243-P |
0.468 |
|
| 1993 |
Laughton CA, Neidle S. Prediction of the structure of the Y+.R-.R(+)-type DNA triple helix by molecular modelling. Nucleic Acids Research. 20: 6535-41. PMID 1480474 DOI: 10.1093/nar/20.24.6535 |
0.513 |
|
| 1993 |
Greenidge PA, Laughton CA, Jenkins TC, Neidle S. Factors involved in guanine/cytosine (G/C) selectivity of DNA-binding drugs: a molecular modelling study of ligand interactions with a tyrT DNA sequence Journal of the Chemical Society, Faraday Transactions. 89: 2651. DOI: 10.1039/Ft9938902651 |
0.517 |
|
| 1992 |
Laughton CA, Neidle S. Molecular dynamics simulation of the DNA triplex d(TC)5.d(GA)5.d(C+T)5. Journal of Molecular Biology. 223: 519-29. PMID 1738161 DOI: 10.1016/0022-2836(92)90667-9 |
0.509 |
|
| 1992 |
Edwards KJ, Laughton CA, Neidle S. A molecular modeling study of the interactions between the antiestrogen drug tamoxifen and several derivatives, and the calcium-binding protein calmodulin Journal of Medicinal Chemistry. 35: 2753-2761. PMID 1322985 DOI: 10.1021/Jm00093A006 |
0.439 |
|
| 1992 |
Edwards KJ, Laughton CA, Neidle S. A note on the conformational flexibility of the antiestrogenic drug tamoxifen: preferred conformations in the free state and bound to the protein calmodulin Acta Crystallographica Section B. 48: 511-514. DOI: 10.1107/S0108768191014830 |
0.396 |
|
| 1991 |
Orozco M, Laughton CA, Herzyk P, Neidle S. Molecular-mechanics modelling of drug-DNA structures; the effects of differing dielectric treatment on helix parameters and comparison with a fully solvated structural model. Journal of Biomolecular Structure & Dynamics. 8: 359-73. PMID 2176506 DOI: 10.1080/07391102.1990.10507810 |
0.474 |
|
| 1991 |
Laughton C, Neidle S. DNA triple helices. A molecular dynamics study Journal De Chimie Physique. 88: 2597-2603. DOI: 10.1051/jcp/1991882597 |
0.478 |
|
| 1990 |
Laughton CA, McKenna R, Neidle S, Jarman M, McCague R, Rowlands MG. Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives. Journal of Medicinal Chemistry. 33: 2673-9. PMID 2391706 DOI: 10.1021/Jm00171A052 |
0.445 |
|
| 1990 |
Laughton CA, Neidle S. Inhibitors of the P450 enzymes aromatase and lyase. Crystallographic and molecular modeling studies suggest structural features of pyridylacetic acid derivatives responsible for differences in enzyme inhibitory activity. Journal of Medicinal Chemistry. 33: 3055-60. PMID 2231605 DOI: 10.1021/Jm00173A023 |
0.456 |
|
| 1990 |
Laughton CA, Neidle S, Zvelebil MJ, Sternberg MJ. A molecular model for the enzyme cytochrome P450(17 alpha), a major target for the chemotherapy of prostatic cancer. Biochemical and Biophysical Research Communications. 171: 1160-7. PMID 2222435 DOI: 10.1016/0006-291X(90)90806-X |
0.44 |
|
| 1990 |
Laughton CA, Jenkins TC, Fox KR, Neidle S. Interaction of berenil with the tyrT DNA sequence studied by footprinting and molecular modelling. Implications for the design of sequence-specific DNA recognition agents. Nucleic Acids Research. 18: 4479-88. PMID 2167469 DOI: 10.1093/Nar/18.15.4479 |
0.523 |
|
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