| Parmbsc1: a refined force field for DNA simulations I Ivani, PD Dans, A Noy, A Pérez, I Faustino, A Hospital, J Walther, ... Nature methods 13 (1), 55-58, 2016 | 1154 | 2016 |
| Molecular dynamics simulations: advances and applications A Hospital, JR Goñi, M Orozco, JL Gelpí Advances and Applications in Bioinformatics and Chemistry, 37-47, 2015 | 870 | 2015 |
| A consensus view of protein dynamics M Rueda, C Ferrer-Costa, T Meyer, A Pérez, J Camps, A Hospital, ... Proceedings of the National Academy of Sciences 104 (3), 796-801, 2007 | 241 | 2007 |
| MDWeb and MDMoby: an integrated web-based platform for molecular dynamics simulations A Hospital, P Andrio, C Fenollosa, D Cicin-Sain, M Orozco, JL Gelpí Bioinformatics 28 (9), 1278-1279, 2012 | 158 | 2012 |
| How accurate are accurate force-fields for B-DNA? PD Dans, I Ivani, A Hospital, G Portella, C González, M Orozco Nucleic Acids Research 45 (7), 4217-4230, 2017 | 149 | 2017 |
| MoDEL (Molecular Dynamics Extended Library): a database of atomistic molecular dynamics trajectories T Meyer, M D'Abramo, M Rueda, C Ferrer-Costa, A Pérez, O Carrillo, ... Structure 18 (11), 1399-1409, 2010 | 148 | 2010 |
| Long-timescale dynamics of the Drew–Dickerson dodecamer PD Dans, L Danilāne, I Ivani, T Dršata, F Lankaš, A Hospital, J Walther, ... Nucleic acids research 44 (9), 4052-4066, 2016 | 143 | 2016 |
| FlexServ: an integrated tool for the analysis of protein flexibility J Camps, O Carrillo, A Emperador, L Orellana, A Hospital, M Rueda, ... Bioinformatics 25 (13), 1709-1710, 2009 | 108 | 2009 |
| BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows P Andrio, A Hospital, J Conejero, L Jordá, M Del Pino, L Codo, ... Scientific data 6 (1), 169, 2019 | 64 | 2019 |
| Oncogenic mutations at the EGFR ectodomain structurally converge to remove a steric hindrance on a kinase-coupled cryptic epitope L Orellana, AH Thorne, R Lema, J Gustavsson, AD Parisian, A Hospital, ... Proceedings of the National Academy of Sciences 116 (20), 10009-10018, 2019 | 60 | 2019 |
| BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data A Hospital, P Andrio, C Cugnasco, L Codo, Y Becerra, PD Dans, ... Nucleic acids research 44 (D1), D272-D278, 2016 | 60 | 2016 |
| NAFlex: a web server for the study of nucleic acid flexibility A Hospital, I Faustino, R Collepardo-Guevara, C Gonzalez, JL Gelpí, ... Nucleic acids research 41 (W1), W47-W55, 2013 | 57 | 2013 |
| The static and dynamic structural heterogeneities of B-DNA: extending Calladine–Dickerson rules PD Dans, A Balaceanu, M Pasi, AS Patelli, D Petkevičiūtė, J Walther, ... Nucleic acids research 47 (21), 11090-11102, 2019 | 56 | 2019 |
| Sequence-dependent structural properties of B-DNA: what have we learned in 40 years? G Da Rosa, L Grille, V Calzada, K Ahmad, JP Arcon, F Battistini, G Bayarri, ... Biophysical Reviews, 1-11, 2021 | 44 | 2021 |
| The need to implement FAIR principles in biomolecular simulations RE Amaro, J Åqvist, I Bahar, F Battistini, A Bellaiche, D Beltran, PC Biggin, ... Nature methods, 1-5, 2025 | 42 | 2025 |
| Coarse-grained representation of protein flexibility. Foundations, successes, and shortcomings M Orozco, L Orellana, A Hospital, AN Naganathan, A Emperador, ... Advances in Protein Chemistry and Structural Biology 85, 183-215, 2011 | 42 | 2011 |
| A multi-modal coarse grained model of DNA flexibility mappable to the atomistic level J Walther, PD Dans, A Balaceanu, A Hospital, G Bayarri, M Orozco Nucleic acids research 48 (5), e29-e29, 2020 | 41 | 2020 |
| Finding conformational transition pathways from discrete molecular dynamics simulations P Sfriso, A Emperador, L Orellana, A Hospital, JL Gelpí, M Orozco Journal of chemical theory and computation 8 (11), 4707-4718, 2012 | 38 | 2012 |
| Modulation of the helical properties of DNA: next-to-nearest neighbour effects and beyond A Balaceanu, D Buitrago, J Walther, A Hospital, PD Dans, M Orozco Nucleic acids research 47 (9), 4418-4430, 2019 | 37 | 2019 |
| Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange ML Evans, J Bergsma, A Merkys, CW Andersen, OB Andersson, D Beltrán, ... Digital Discovery 3 (8), 1509-1533, 2024 | 35 | 2024 |
Modesto OrozcoProfessor of Biochemistry, Universtity of Barcelona and Group Leader IRB BarcelonaVerified email at irbbarcelona.org
