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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
在 iqac.csic.es 的电子邮件经过验证 - 首页
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引用次数
引用次数
年份
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
1732021
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
1661999
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
911999
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
902019
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
872017
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
852012
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
792002
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
692001
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
602011
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
512011
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
452021
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
412010
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
402017
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
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
382011
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