| Macromolecular modeling and design in Rosetta: recent methods and frameworks JK Leman, BD Weitzner, SM Lewis, J Adolf-Bryfogle, N Alam, RF Alford, ... Nature methods 17 (7), 665-680, 2020 | 564 | 2020 |
| De novo design of potent and selective mimics of IL-2 and IL-15 DA Silva, S Yu, UY Ulge, JB Spangler, KM Jude, C Labão-Almeida, LR Ali, ... Nature 565 (7738), 186-191, 2019 | 414 | 2019 |
| De novo design of a fluorescence-activating β-barrel J Dou, AA Vorobieva, W Sheffler, LA Doyle, H Park, MJ Bick, B Mao, ... Nature 561, 485-491, 2018 | 320 | 2018 |
| Principles for designing proteins with cavities formed by curved β sheets E Marcos, B Basanta, TM Chidyausiku, Y Tang, G Oberdorfer, G Liu, ... Science 355 (6321), 201-206, 2017 | 134 | 2017 |
| De novo design of a non-local β-sheet protein with high stability and accuracy E Marcos, TM Chidyausiku, AC McShan, T Evangelidis, S Nerli, L Carter, ... Nature structural & molecular biology 25, 1028-1034, 2018 | 118 | 2018 |
| Essentials of de novo protein design: Methods and applications E Marcos, DA Silva Wiley Interdisciplinary Reviews: Computational Molecular Science, e1374, 2018 | 59 | 2018 |
| Changes in dynamics upon oligomerization regulate substrate binding and allostery in amino acid kinase family members E Marcos, R Crehuet, I Bahar PLoS computational biology 7 (9), e1002201, 2011 | 59 | 2011 |
| On the conservation of the slow conformational dynamics within the amino acid kinase family: NAGK the paradigm E Marcos, R Crehuet, I Bahar PLoS computational biology 6 (4), e1000738, 2010 | 40 | 2010 |
| Design of Hückel–Möbius topological switches with high nonlinear optical properties M Torrent-Sucarrat, S Navarro, E Marcos, JM Anglada, JM Luis The Journal of Physical Chemistry C 121 (35), 19348-19357, 2017 | 37 | 2017 |
| Effect of the meso-substituent in the Hückel-to-Möbius topological switches E Marcos, JM Anglada, M Torrent-Sucarrat The Journal of Organic Chemistry 79 (11), 5036-5046, 2014 | 29 | 2014 |
| Theoretical study of the switching between Hückel and Möbius topologies for expanded porphyrins E Marcos, JM Anglada, M Torrent-Sucarrat The Journal of Physical Chemistry C 116 (45), 24358-24366, 2012 | 29 | 2012 |
| De novo design of immunoglobulin-like domains TM Chidyausiku, SR Mendes, JC Klima, M Nadal, U Eckhard, ... Nature Communications 13 (1), 5661, 2022 | 25 | 2022 |
| Pentacoordinated phosphorus revisited by high‐level QM/MM calculations E Marcos, MJ Field, R Crehuet Proteins: Structure, Function, and Bioinformatics 78 (11), 2405-2411, 2010 | 23 | 2010 |
| Inductive and external electric field effects in pentacoordinated phosphorus compounds E Marcos, R Crehuet, JM Anglada Journal of Chemical Theory and Computation 4 (1), 49-63, 2008 | 20 | 2008 |
| Description of pentacoordinated phosphorus under an external electric field: which basis sets and semi-empirical methods are needed? E Marcos, JM Anglada, R Crehuet Physical Chemistry Chemical Physics 10 (18), 2442-2450, 2008 | 20 | 2008 |
| Conformational Compression and Barrier Height Heterogeneity in the N-Acetylglutamate Kinase M Sanchez-Martinez, E Marcos, R Tauler, M Field, R Crehuet The Journal of Physical Chemistry B 117 (46), 14261-14272, 2013 | 18 | 2013 |
| Crowding induces differences in the diffusion of thermophilic and mesophilic proteins: a new look at neutron scattering results E Marcos, P Mestres, R Crehuet Biophysical journal 101 (11), 2782-2789, 2011 | 17 | 2011 |
| Dynamic fingerprints of protein thermostability revealed by long molecular dynamics E Marcos, A Jiménez, R Crehuet Journal of Chemical Theory and Computation 8 (3), 1129-1142, 2012 | 11 | 2012 |
| An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin SR Mendes, U Eckhard, A Rodríguez-Banqueri, T Guevara, P Czermak, ... Computational and Structural Biotechnology Journal 20, 534-544, 2022 | 6 | 2022 |
| Identifying well-folded de novo proteins in the new era of accurate structure prediction D Peñas-Utrilla, E Marcos Frontiers in Molecular Biosciences, 1112, 2022 | 5 | 2022 |
Ramon Crehuet (ORCID: 0000-0002-6...Institute of Advanced Chemistry of Catalonia (RoR: 03srn9y98), CSIC. Barcelona, SpainDirección de correo verificada de iqac.csic.es
