Publications

DOI: 10.1039/C7CP05038K

Viola Previtali,  Cristina Trujillo,  Jean-Charles Boisson,  Hassan Khartabil,  Eric Hénon  and  Isabel Rozas 

Development of the First Model of a Phosphorylated, ATP/Mg²⁺-Containing B-Raf Monomer by Molecular Dynamics Simulations: a Tool for Structure-Based Design.

DOI:10.1021/acs.jpca.7b09678

Goar Sánchez-Sanz, Cristina Trujillo, Ibon Alkorta, and José Elguero

Enhancing Intramolecular Chalcogen Interactions in 1-Hydroxy-8-YH-Naphthalenes Derivatives.

 DOI:10.1039/C7CC04596D

C. Trujillo, I. Rozas,  A. Botte  and  S. J. Connon

A DFT mechanistic study of the organocatalytic asymmetric reaction of aldehydes and homophthalic anhydride.

DOI:10.1039/c7cp03661b

G. Sánchez-Sanz, C. Trujillo, I. Alkorta and J. Elguero

Modulation of in:out and out:out conformations in [X.X’.X”] Phosphatranes by Lewis Acids

DOI:10.1016/j.ejmech.2017.06.008

A. Flood, C. Trujillo, G. Sánchez-Sanz, B. Kelly, B. Twamley, C. Muguruza, L. F. Callado, and I. Rozas.

Thiophene/Thiazole-Benzene Replacement on Guanidine Derivatives Targeting α2-Adrenoceptors.

DOI: 10.1007/s11224-016-0882-y

C. Trujillo, G. Sánchez-Sanz, I. Akorta, J. Elguero

An insight on the aromatic changes in closed shell icosagen, tetrel and pnictogen phenalenyl derivatives

DOI: 10.1039/C6OB02637K

F. manoni, U. Farid, C. Trujillo, S. J. Connon

Catalytic asymmetric Tamura cycloadditions involving nitroalkenes

DOI: 10.1007/s00214-016-2012-8

C. Trujillo, V. Previtali, I. Rozas

A theoretical model of the interaction between phosphates in the ATP molecule and guanidinium systems

DOI:10.1016/j.tet.2016.06.050

D. Quiñonero, A. Bauzá, G. Sánchez-Sanz, C. Trujillo, I. Alkorta, J. Elguero

Weak interactions within nitryl halide heterodimers

DOI: 10.1016/j.comptc.2016.06.020

G. Sanchez-Sanz, C. Trujillo, I. Alkorta

Structure, binding energy and chiral discrimination in oxathiirane homodimers