RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology … SK Burley, C Bhikadiya, C Bi, S Bittrich, L Chen, GV Crichlow, CH Christie, ... Nucleic acids research 49 (D1), D437-D451, 2021 | 1146 | 2021 |
RCSB Protein Data Bank: biological macromolecular structures enabling research and education in fundamental biology, biomedicine, biotechnology and energy SK Burley, HM Berman, C Bhikadiya, C Bi, L Chen, L Di Costanzo, ... Nucleic acids research 47 (D1), D464-D474, 2019 | 1060 | 2019 |
The RCSB protein data bank: integrative view of protein, gene and 3D structural information PW Rose, A Prlić, A Altunkaya, C Bi, AR Bradley, CH Christie, ... Nucleic acids research, gkw1000, 2016 | 1048 | 2016 |
Bioconda: sustainable and comprehensive software distribution for the life sciences B Grüning, R Dale, A Sjödin, BA Chapman, J Rowe, CH Tomkins-Tinch, ... Nature methods 15 (7), 475-476, 2018 | 843 | 2018 |
Mol* Viewer: modern web app for 3D visualization and analysis of large biomolecular structures D Sehnal, S Bittrich, M Deshpande, R Svobodová, K Berka, V Bazgier, ... Nucleic acids research 49 (W1), W431-W437, 2021 | 725 | 2021 |
Protein Data Bank: the single global archive for 3D macromolecular structure data Nucleic acids research 47 (D1), D520-D528, 2019 | 658 | 2019 |
Web-based molecular graphics for large complexes AS Rose, AR Bradley, Y Valasatava, JM Duarte, A Prlić, PW Rose Proceedings of the 21st international conference on Web3D technology, 185-186, 2016 | 611 | 2016 |
DeepSite: protein-binding site predictor using 3D-convolutional neural networks J Jiménez, S Doerr, G Martínez-Rosell, AS Rose, G De Fabritiis Bioinformatics 33 (19), 3036-3042, 2017 | 536 | 2017 |
NGL Viewer: a web application for molecular visualization AS Rose, PW Hildebrand Nucleic acids research 43 (W1), W576-W579, 2015 | 487 | 2015 |
Mol*: Towards a Common Library and Tools for Web Molecular Graphics. D Sehnal, AS Rose, J Koca, SK Burley, S Velankar MolVa@ EuroVis, 29-33, 2018 | 195 | 2018 |
Crystal structure of a common GPCR-binding interface for G protein and arrestin M Szczepek, F Beyrière, KP Hofmann, M Elgeti, R Kazmin, A Rose, ... Nature communications 5 (1), 4801, 2014 | 190 | 2014 |
Bringing molecular dynamics simulation data into view PW Hildebrand, AS Rose, JKS Tiemann Trends in Biochemical Sciences 44 (11), 902-913, 2019 | 168 | 2019 |
RCSB Protein Data Bank: architectural advances towards integrated searching and efficient access to macromolecular structure data from the PDB archive Y Rose, JM Duarte, R Lowe, J Segura, C Bi, C Bhikadiya, L Chen, ... Journal of molecular biology 433 (11), 166704, 2021 | 140 | 2021 |
NGLview–interactive molecular graphics for Jupyter notebooks H Nguyen, DA Case, AS Rose Bioinformatics 34 (7), 1241-1242, 2018 | 138 | 2018 |
Position of transmembrane helix 6 determines receptor G protein coupling specificity AS Rose, M Elgeti, U Zachariae, H Grubmüller, KP Hofmann, ... Journal of the American Chemical Society 136 (32), 11244-11247, 2014 | 116 | 2014 |
A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening C Gorgulla, KMP Das, KE Leigh, M Cespugli, PD Fischer, ZF Wang, ... Iscience 24 (2), 2021 | 62 | 2021 |
Molecular graphics: bridging structural biologists and computer scientists X Martinez, M Krone, N Alharbi, AS Rose, RS Laramee, S O'Donoghue, ... Structure 27 (11), 1617-1623, 2019 | 55 | 2019 |
MMTF—an efficient file format for the transmission, visualization, and analysis of macromolecular structures AR Bradley, AS Rose, A Pavelka, Y Valasatava, JM Duarte, A Prlić, ... PLoS computational biology 13 (6), e1005575, 2017 | 52 | 2017 |
Precision vs flexibility in GPCR signaling M Elgeti, AS Rose, FJ Bartl, PW Hildebrand, KP Hofmann, M Heck Journal of the American Chemical Society 135 (33), 12305-12312, 2013 | 47 | 2013 |
MDsrv: viewing and sharing molecular dynamics simulations on the web JKS Tiemann, R Guixa-Gonzalez, PW Hildebrand, AS Rose Nature methods 14 (12), 1123-1124, 2017 | 40 | 2017 |