Amyloid β protein and Alzheimer’s disease: When computer simulations complement experimental studies J Nasica-Labouze, PH Nguyen, F Sterpone, O Berthoumieu, NV Buchete, ... Chemical reviews 115 (9), 3518-3563, 2015 | 638 | 2015 |
Exploring the repertoire of RNA secondary motifs using graph theory; implications for RNA design HH Gan, S Pasquali, T Schlick Nucleic acids research 31 (11), 2926-2943, 2003 | 239 | 2003 |
The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems F Sterpone, S Melchionna, P Tuffery, S Pasquali, N Mousseau, ... Chemical Society Reviews 43 (13), 4871-4893, 2014 | 166 | 2014 |
HiRE-RNA: a high resolution coarse-grained energy model for RNA S Pasquali, P Derreumaux The journal of physical chemistry B 114 (37), 11957-11966, 2010 | 147 | 2010 |
The coarse-grained OPEP force field for non-amyloid and amyloid proteins Y Chebaro, S Pasquali, P Derreumaux The Journal of Physical Chemistry B 116 (30), 8741-8752, 2012 | 118 | 2012 |
Analysis of protein sequence/structure similarity relationships HH Gan, RA Perlow, S Roy, J Ko, M Wu, J Huang, S Yan, A Nicoletta, ... Biophysical journal 83 (5), 2781-2791, 2002 | 113 | 2002 |
Epock: rapid analysis of protein pocket dynamics B Laurent, M Chavent, T Cragnolini, ACE Dahl, S Pasquali, ... Bioinformatics 31 (9), 1478-1480, 2015 | 106 | 2015 |
Coarse-grained simulations of RNA and DNA duplexes T Cragnolini, P Derreumaux, S Pasquali The Journal of Physical Chemistry B 117 (27), 8047-8060, 2013 | 105 | 2013 |
Folding and aggregation of designed proteins RA Broglia, G Tiana, S Pasquali, HE Roman, E Vigezzi Proceedings of the National Academy of Sciences 95 (22), 12930-12933, 1998 | 102 | 1998 |
Coarse-grained HiRE-RNA model for ab initio RNA folding beyond simple molecules, including noncanonical and multiple base pairings T Cragnolini, Y Laurin, P Derreumaux, S Pasquali Journal of chemical theory and computation 11 (7), 3510-3522, 2015 | 72 | 2015 |
UnityMol: Interactive scientific visualization for integrative biology S Doutreligne, T Cragnolini, S Pasquali, P Derreumaux, M Baaden 2014 IEEE 4th Symposium on Large Data Analysis and Visualization (LDAV), 109-110, 2014 | 50 | 2014 |
Ten simple rules to create a serious game, illustrated with examples from structural biology M Baaden, O Delalande, N Ferey, S Pasquali, J Waldispühl, A Taly PLoS computational biology 14 (3), e1005955, 2018 | 46 | 2018 |
Coarse-grained simulations complemented by atomistic molecular dynamics provide new insights into folding and unfolding of human telomeric G-quadruplexes P Stadlbauer, L Mazzanti, T Cragnolini, DJ Wales, P Derreumaux, ... Journal of Chemical Theory and Computation 12 (12), 6077-6097, 2016 | 46 | 2016 |
The crystal structure of the 5΄ functional domain of the transcription riboregulator 7SK D Martinez-Zapien, P Legrand, AG McEwen, F Proux, T Cragnolini, ... Nucleic acids research 45 (6), 3568-3579, 2017 | 43 | 2017 |
Modular RNA architecture revealed by computational analysis of existing pseudoknots and ribosomal RNAs S Pasquali, HH Gan, T Schlick Nucleic acids research 33 (4), 1384-1398, 2005 | 43 | 2005 |
Electrostatics analysis of the mutational and pH effects of the N-terminal domain self-association of the major ampullate spidroin FLB Da Silva, S Pasquali, P Derreumaux, LG Dias Soft Matter 12 (25), 5600-5612, 2016 | 37 | 2016 |
Protein-RNA complexation driven by the charge regulation mechanism FLB da Silva, P Derreumaux, S Pasquali Biochemical and biophysical research communications 498 (2), 264-273, 2018 | 32 | 2018 |
Multifunctional energy landscape for a DNA G-quadruplex: An evolved molecular switch T Cragnolini, D Chakraborty, J Šponer, P Derreumaux, S Pasquali, ... The Journal of Chemical Physics 147 (15), 2017 | 30 | 2017 |
Structural transitions in the RNA 7SK 5′ hairpin and their effect on HEXIM binding K Röder, G Stirnemann, AC Dock-Bregeon, DJ Wales, S Pasquali Nucleic acids research 48 (1), 373-389, 2020 | 28 | 2020 |
Molecular modelling as the spark for active learning approaches for interdisciplinary biology teaching A Taly, F Nitti, M Baaden, S Pasquali Interface Focus 9 (3), 20180065, 2019 | 23 | 2019 |