| Accurate model of liquid–liquid phase behavior of intrinsically disordered proteins from optimization of single-chain properties G Tesei, TK Schulze, R Crehuet, K Lindorff-Larsen Proceedings of the National Academy of Sciences 118 (44), e2111696118, 2021 | 249 | 2021 |
| The ozonolysis of ethylene: A theoretical study of the gas‐phase reaction mechanism JM Anglada, R Crehuet, JM Bofill Chemistry–A European Journal 5 (6), 1809-1822, 1999 | 170 | 1999 |
| Tropospheric Formation of Hydroxymethyl Hydroperoxide, Formic Acid, H2O2, and OH from Carbonyl Oxide in the Presence of Water Vapor: A Theoretical Study of … R Crehuet, JM Anglada, JM Bofill Chemistry–A European Journal 7 (10), 2227-2235, 2001 | 114 | 2001 |
| Side chain to main chain hydrogen bonds stabilize a polyglutamine helix in a transcription factor A Escobedo, B Topal, MBA Kunze, J Aranda, G Chiesa, D Mungianu, ... Nature communications 10 (1), 2034, 2019 | 101 | 2019 |
| Structural basis of human PCNA sliding on DNA M De March, N Merino, S Barrera-Vilarmau, R Crehuet, S Onesti, ... Nature communications 8 (1), 13935, 2017 | 93 | 2017 |
| Inductive effects in neutral pentacoordinated silicon compounds containing a Si← N dative bond. A theoretical study JM Anglada, C Bo, JM Bofill, R Crehuet, JM Poblet Organometallics 18 (26), 5584-5593, 1999 | 90 | 1999 |
| Correlation between photophysical parameters and gold–gold distances in gold (I)(4-Pyridyl) ethynyl complexes L Rodríguez, M Ferrer, R Crehuet, J Anglada, JC Lima Inorganic Chemistry 51 (14), 7636-7641, 2012 | 88 | 2012 |
| Reaction modes of carbonyl oxide, dioxirane, and methylenebis (oxy) with ethylene: A new reaction mechanism R Crehuet, JM Anglada, D Cremer, JM Bofill The Journal of Physical Chemistry A 106 (15), 3917-3929, 2002 | 79 | 2002 |
| A new look at the reduced-gradient-following path R Crehuet, JM Bofill, JM Anglada Theoretical Chemistry Accounts 107 (3), 130-139, 2002 | 79 | 2002 |
| A temperature-dependent nudged-elastic-band algorithm R Crehuet, MJ Field The Journal of chemical physics 118 (21), 9563-9571, 2003 | 71 | 2003 |
| The ozonolysis of acetylene a quantum chemical investigation D Cremer, R Crehuet, J Anglada Journal of the American Chemical Society 123 (25), 6127-6141, 2001 | 70 | 2001 |
| On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states JM Anglada, E Besalú, JM Bofill, R Crehuet Journal of Computational Chemistry 22 (4), 387-406, 2001 | 70 | 2001 |
| 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 | 62 | 2011 |
| The reaction path intrinsic reaction coordinate method and the Hamilton–Jacobi theory R Crehuet, JM Bofill The Journal of chemical physics 122 (23), 2005 | 61 | 2005 |
| DEER-PREdict: Software for efficient calculation of spin-labeling EPR and NMR data from conformational ensembles G Tesei, JM Martins, MBA Kunze, Y Wang, R Crehuet, K Lindorff-Larsen PLOS Computational Biology 17 (1), e1008551, 2021 | 55 | 2021 |
| Redesign of the Phosphate Binding Site of L‐Rhamnulose‐ 1‐Phosphate Aldolase towards a Dihydroxyacetone Dependent Aldolase X Garrabou, J Joglar, T Parella, R Crehuet, J Bujons, P Clapés Advanced Synthesis & Catalysis 353 (1), 89-99, 2011 | 51 | 2011 |
| Bayesian-maximum-entropy reweighting of IDP ensembles based on NMR chemical shifts R Crehuet, PJ Buigues, X Salvatella, K Lindorff-Larsen Entropy 21 (9), 898, 2019 | 41 | 2019 |
| Disentangling polydispersity in the PCNA−p15PAF complex, a disordered, transient and multivalent macromolecular assembly TN Cordeiro, P Chen, A De Biasio, N Sibille, FJ Blanco, JS Hub, ... Nucleic acids research 45 (3), 1501-1515, 2017 | 41 | 2017 |
| 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 | 41 | 2010 |
| The reaction between HO and (H2O) n (n = 1, 3) clusters: reaction mechanisms and tunneling effects J Gonzalez, M Caballero, A Aguilar-Mogas, M Torrent-Sucarrat, ... Theoretical Chemistry Accounts 128, 579-592, 2011 | 38 | 2011 |
Josep M AngladaIQAC-CSICVerified email at iqac.csic.es
