The molecular basis for selective inhibition of unconventional mRNA splicing by an IRE1-binding small molecule BCS Cross, PJ Bond, PG Sadowski, BK Jha, J Zak, JM Goodman, ... Proceedings of the National Academy of Sciences 109 (15), E869-E878, 2012 | 580 | 2012 |
Evidence that TLR4 is not a receptor for saturated fatty acids but mediates lipid-induced inflammation by reprogramming macrophage metabolism GI Lancaster, KG Langley, NA Berglund, HL Kammoun, S Reibe, ... Cell metabolism 27 (5), 1096-1110. e5, 2018 | 395 | 2018 |
Insertion and assembly of membrane proteins via simulation PJ Bond, MSP Sansom Journal of the American Chemical Society 128 (8), 2697-2704, 2006 | 389 | 2006 |
Coarse-grained molecular dynamics simulations of membrane proteins and peptides PJ Bond, J Holyoake, A Ivetac, S Khalid, MSP Sansom Journal of structural biology 157 (3), 593-605, 2007 | 381 | 2007 |
From in silico target prediction to multi-target drug design: Current databases, methods and applications A Koutsoukas, B Simms, J Kirchmair, PJ Bond, AV Whitmore, S Zimmer, ... Journal of proteomics 74 (12), 2554-2574, 2011 | 349 | 2011 |
Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms J Kirchmair, MJ Williamson, JD Tyzack, L Tan, PJ Bond, A Bender, ... Journal of chemical information and modeling 52 (3), 617-648, 2012 | 305 | 2012 |
Coarse-grained MD simulations of membrane protein-bilayer self-assembly KA Scott, PJ Bond, A Ivetac, AP Chetwynd, S Khalid, MSP Sansom Structure 16 (4), 621-630, 2008 | 230 | 2008 |
Design, synthesis, and biological evaluation of an allosteric inhibitor of HSET that targets cancer cells with supernumerary centrosomes CA Watts, FM Richards, A Bender, PJ Bond, O Korb, O Kern, M Riddick, ... Chemistry & biology 20 (11), 1399-1410, 2013 | 178 | 2013 |
Interaction of the Antimicrobial Peptide Polymyxin B1 with Both Membranes of E. coli: A Molecular Dynamics Study NA Berglund, TJ Piggot, D Jefferies, RB Sessions, PJ Bond, S Khalid PLoS computational biology 11 (4), e1004180, 2015 | 174 | 2015 |
SARS-CoV-2 spike protein binds to bacterial lipopolysaccharide and boosts proinflammatory activity G Petruk, M Puthia, J Petrlova, F Samsudin, AC Strömdahl, S Cerps, ... Journal of Molecular Cell Biology 12 (12), 916-932, 2020 | 163 | 2020 |
Ion channel gating: insights via molecular simulations O Beckstein, PC Biggin, P Bond, JN Bright, C Domene, A Grottesi, ... FEBS letters 555 (1), 85-90, 2003 | 159 | 2003 |
Membrane protein dynamics versus environment: simulations of OmpA in a micelle and in a bilayer PJ Bond, MSP Sansom Journal of molecular biology 329 (5), 1035-1053, 2003 | 157 | 2003 |
The antibiotic darobactin mimics a β-strand to inhibit outer membrane insertase H Kaur, RP Jakob, JK Marzinek, R Green, Y Imai, JR Bolla, E Agustoni, ... Nature 593 (7857), 125-129, 2021 | 147 | 2021 |
Efficient Characterization of Protein Cavities within Molecular Simulation Trajectories: trj_cavity T Paramo, A East, D Garzón, MB Ulmschneider, PJ Bond Journal of chemical theory and computation 10 (5), 2151-2164, 2014 | 143 | 2014 |
Coarse-grained simulation: a high-throughput computational approach to membrane proteins MSP Sansom, KA Scott, PJ Bond Biochemical Society Transactions 36 (1), 27-32, 2008 | 140 | 2008 |
An optical technique for mapping microviscosity dynamics in cellular organelles JE Chambers, M Kubánková, RG Huber, I López-Duarte, E Avezov, ... Acs Nano 12 (5), 4398-4407, 2018 | 139 | 2018 |
Lipid-protein interactions of integral membrane proteins: a comparative simulation study SS Deol, PJ Bond, C Domene, MSP Sansom Biophysical Journal 87 (6), 3737-3749, 2004 | 136 | 2004 |
Bilayer deformation by the Kv channel voltage sensor domain revealed by self-assembly simulations PJ Bond, MSP Sansom Proceedings of the National Academy of Sciences 104 (8), 2631-2636, 2007 | 121 | 2007 |
OmpA: a pore or not a pore? Simulation and modeling studies PJ Bond, JD Faraldo-Gómez, MSP Sansom Biophysical journal 83 (2), 763-775, 2002 | 117 | 2002 |
Structure mapping of dengue and Zika viruses reveals functional long-range interactions RG Huber, XN Lim, WC Ng, AYL Sim, HX Poh, Y Shen, SY Lim, ... Nature communications 10 (1), 1408, 2019 | 115 | 2019 |