| 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 | 1161 | 2016 |
| 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 | 1146 | 2019 |
| The RCSB Protein Data Bank: redesigned web site and web services PW Rose, B Beran, C Bi, WF Bluhm, D Dimitropoulos, DS Goodsell, ... Nucleic acids research 39 (suppl_1), D392-D401, 2010 | 736 | 2010 |
| Recon3D enables a three-dimensional view of gene variation in human metabolism E Brunk, S Sahoo, DC Zielinski, A Altunkaya, A Dräger, N Mih, F Gatto, ... Nature biotechnology 36 (3), 272-281, 2018 | 714 | 2018 |
| NGL viewer: web-based molecular graphics for large complexes. RPW Rose AS, Bradley AR, Valasatava Y, Duarte JM, Prlic A Bioinformatics. 34 (21), 3755-3758, 2018 | 660* | 2018 |
| The RCSB Protein Data Bank: views of structural biology for basic and applied research and education PW Rose, A Prlić, C Bi, WF Bluhm, CH Christie, S Dutta, RK Green, ... Nucl. Acids Res., gku1214, 2014 | 594 | 2014 |
| The RCSB Protein Data Bank: new resources for research and education PW Rose, C Bi, WF Bluhm, CH Christie, D Dimitropoulos, S Dutta, ... Nucleic acids research 41 (D1), D475-D482, 2012 | 554 | 2012 |
| The CAFA challenge reports improved protein function prediction and new functional annotations for hundreds of genes through experimental screens N Zhou, Y Jiang, TR Bergquist, AJ Lee, BZ Kacsoh, AW Crocker, ... Genome biology 20, 1-23, 2019 | 429 | 2019 |
| Deciphering common failures in molecular docking of ligand-protein complexes GM Verkhivker, D Bouzida, DK Gehlhaar, PA Rejto, S Arthurs, AB Colson, ... Journal of computer-aided molecular design 14, 731-751, 2000 | 320 | 2000 |
| Pre-calculated protein structure alignments at the RCSB PDB website A Prlić, S Bliven, PW Rose, WF Bluhm, C Bizon, A Godzik, PE Bourne Bioinformatics 26 (23), 2983-2985, 2010 | 252 | 2010 |
| BioJava: an open-source framework for bioinformatics in 2012 A Prlić, A Yates, SE Bliven, PW Rose, J Jacobsen, PV Troshin, ... Bioinformatics, 2012 | 223 | 2012 |
| Ten simple rules for writing and sharing computational analyses in Jupyter Notebooks A Rule, A Birmingham, C Zuniga, I Altintas, SC Huang, R Knight, ... PLoS computational biology 15 (7), e1007007, 2019 | 180* | 2019 |
| Complexity and simplicity of ligand–macromolecule interactions: the energy landscape perspective GM Verkhivker, D Bouzida, DK Gehlhaar, PA Rejto, ST Freer, PW Rose Current opinion in structural biology 12 (2), 197-203, 2002 | 130 | 2002 |
| Simulating disorder–order transitions in molecular recognition of unstructured proteins: where folding meets binding GM Verkhivker, D Bouzida, DK Gehlhaar, PA Rejto, ST Freer, PW Rose Proceedings of the National Academy of Sciences 100 (9), 5148-5153, 2003 | 119 | 2003 |
| Impact of genetic variation on three dimensional structure and function of proteins R Bhattacharya, PW Rose, SK Burley, A Prlić PloS one 12 (3), e0171355, 2017 | 100 | 2017 |
| Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2 … PS Dragovich, TJ Prins, R Zhou, TO Johnson, Y Hua, HT Luu, SK Sakata, ... Journal of medicinal chemistry 46 (21), 4572-4585, 2003 | 100 | 2003 |
| Trendspotting in the protein data bank HM Berman, BC Narayanan, L Di Costanzo, S Dutta, S Ghosh, ... FEBS letters 587 (8), 1036-1045, 2013 | 94 | 2013 |
| A collection of computer methods for synthesis design and reaction prediction J Gasteiger, WD Ihlenfeldt, P Röse Recueil des Travaux Chimiques des Pays‐Bas 111 (6), 270-290, 1992 | 70 | 1992 |
| Automated derivation of reaction rules for the EROS 6.0 system for reaction prediction P Röse, J Gasteiger Analytica chimica acta 235, 163-168, 1990 | 66 | 1990 |
| Computer simulations of ligand–protein binding with ensembles of protein conformations: A Monte Carlo study of HIV‐1 protease binding energy landscapes D Bouzida, PA Rejto, S Arthurs, AB Colson, ST Freer, DK Gehlhaar, ... International journal of quantum chemistry 72 (1), 73-84, 1999 | 65 | 1999 |
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