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Ramon Crehuet (ORCID: 0000-0002-6687-382X)
Ramon Crehuet (ORCID: 0000-0002-6687-382X)
Institute of Advanced Chemistry of Catalonia (RoR: 03srn9y98), CSIC. Barcelona, Spain
Correu electrònic verificat a iqac.csic.es - Pàgina d'inici
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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
1651999
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
1422021
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
1112001
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
921999
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
882019
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
832017
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
822012
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
792002
A new look at the reduced-gradient-following path
R Crehuet, JM Bofill, JM Anglada
Theoretical Chemistry Accounts 107, 130-139, 2002
782002
A temperature-dependent nudged-elastic-band algorithm
R Crehuet, MJ Field
The Journal of chemical physics 118 (21), 9563-9571, 2003
702003
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
682001
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
682001
The reaction path intrinsic reaction coordinate method and the Hamilton–Jacobi theory
R Crehuet, JM Bofill
The Journal of chemical physics 122 (23), 2005
622005
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
592011
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 Clapes
Advanced Synthesis & Catalysis 353 (1), 89-99, 2011
492011
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
442021
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
402010
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
392011
The ozone–acetylene reaction: Concerted or non-concerted reaction mechanism? A quantum chemical investigation
D Cremer, E Kraka, R Crehuet, J Anglada, J Gräfenstein
Chemical physics letters 347 (1-3), 268-276, 2001
392001
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
372017
En aquests moments el sistema no pot dur a terme l'operació. Torneu-ho a provar més tard.
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