| Parmbsc1: a refined force field for DNA simulations I Ivani, PD Dans, A Noy, A Pérez, I Faustino, A Hospital, J Walther, ... Nature methods 13 (1), 55-58, 2016 | 579 | 2016 |
| Cooperativity in drug− DNA recognition: a molecular dynamics study SA Harris, E Gavathiotis, MS Searle, M Orozco, CA Laughton Journal of the American Chemical Society 123 (50), 12658-12663, 2001 | 180 | 2001 |
| Structural diversity of supercoiled DNA RN Irobalieva, JM Fogg, DJ Catanese, T Sutthibutpong, M Chen, ... Nature communications 6 (1), 1-11, 2015 | 154 | 2015 |
| Molecular dynamics studies of DNA A-tract structure and flexibility EC Sherer, SA Harris, R Soliva, M Orozco, CA Laughton Journal of the American Chemical Society 121 (25), 5981-5991, 1999 | 117 | 1999 |
| Molecular dynamics simulations of duplex stretching reveal the importance of entropy in determining the biomechanical properties of DNA SA Harris, ZA Sands, CA Laughton Biophysical journal 88 (3), 1684-1691, 2005 | 110 | 2005 |
| Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity DJ Huggins, PC Biggin, MA Dämgen, JW Essex, SA Harris, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (3), e1393, 2019 | 105 | 2019 |
| Atomistic simulations reveal bubbles, kinks and wrinkles in supercoiled DNA JS Mitchell, CA Laughton, SA Harris Nucleic acids research 39 (9), 3928-3938, 2011 | 105 | 2011 |
| Considerations in experimental and theoretical collision cross-section measurements of small molecules using travelling wave ion mobility spectrometry-mass spectrometry TW Knapman, JT Berryman, I Campuzano, SA Harris, AE Ashcroft International journal of mass spectrometry 298 (1-3), 17-23, 2010 | 99 | 2010 |
| Skp is a multivalent chaperone of outer-membrane proteins B Schiffrin, AN Calabrese, PWA Devine, SA Harris, AE Ashcroft, ... Nature structural & molecular biology 23 (9), 786-793, 2016 | 82 | 2016 |
| Mapping the phase diagram of the writhe of DNA nanocircles using atomistic molecular dynamics simulations SA Harris, CA Laughton, TB Liverpool Nucleic acids research 36 (1), 21-29, 2008 | 79 | 2008 |
| 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 CE Bostock-Smith, SA Harris, CA Laughton, MS Searle Nucleic acids research 29 (3), 693-702, 2001 | 71 | 2001 |
| Bullied no more: when and how DNA shoves proteins around JM Fogg, GL Randall, BM Pettitt, LS De Witt, SA Harris, L Zechiedrich Quarterly reviews of biophysics 45 (3), 257-299, 2012 | 67 | 2012 |
| Parmbsc1: a refined force field for DNA simulations J Walther, P Andrio, R Goñi, A Balaceanu, G Portella, F Battistini, JL Gelpí, ... Nat. Methods 13 (1), 55, 2016 | 66 | 2016 |
| Large-scale molecular dynamics simulation of DNA: implementation and validation of the AMBER98 force field in LAMMPS C Grindon, S Harris, T Evans, K Novik, P Coveney, C Laughton Philosophical Transactions of the Royal Society of London. Series A …, 2004 | 64 | 2004 |
| Peptide synthesis and self-assembly S Maude, LR Tai, RPW Davies, B Liu, SA Harris, PJ Kocienski, A Aggeli Peptide-Based Materials, 27-69, 2011 | 56 | 2011 |
| Systematic examination of polymorphism in amyloid fibrils by molecular-dynamics simulation JT Berryman, SE Radford, SA Harris Biophysical journal 100 (9), 2234-2242, 2011 | 55 | 2011 |
| Thermodynamic description of polymorphism in Q-and N-rich peptide aggregates revealed by atomistic simulation JT Berryman, SE Radford, SA Harris Biophysical journal 97 (1), 1-11, 2009 | 54 | 2009 |
| Supramolecular Domains in Mixed Peptide Self‐Assembled Monolayers on Gold Nanoparticles L Duchesne, G Wells, DG Fernig, SA Harris, R Lévy ChemBioChem 9 (13), 2127-2134, 2008 | 52 | 2008 |
| Long-range correlations in the mechanics of small DNA circles under topological stress revealed by multi-scale simulation T Sutthibutpong, C Matek, C Benham, GG Slade, A Noy, C Laughton, ... Nucleic acids research 44 (19), 9121-9130, 2016 | 49 | 2016 |
| The atomistic simulation of DNA CA Laughton, SA Harris Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (4), 590-600, 2011 | 46 | 2011 |
