Publications

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2015

Connecting proline and γ-aminobutyric acid in stressed plants through non-enzymatic reactions

PLoS One

S. Signorelli, P. D. Dans, L. E Coitiño, O. Borsani, and J. Monza
Molecular dynamics simulations: advances and applications.

Advances and Applications in Bioinformatics and Chemistry

A. Hospital, J. Ramon Goñi, M. Orozco, and J L. Gelpí
Molecular dynamics study of naturally existing cavity couplings in proteins.

PLoS One

M. Barbany, T. Meyer, A. Hospital, I. Faustino, M. D'Abramo, J. Morata, M. Orozco, and X. de la Cruz
A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase

Angewandte Chemie International Edition

D. Albesa-Jové, F. Mendoza, A. Rodrigo-Unzueta, F. Gomollón-Bel, J. O. Cifuente, S. Urresti, N. Comino, H. Gomez, J. Romero-García, J. M. Lluch, E. Sancho-Vaello, X. Biarnés, A. Planas, P. Merino, L. Masgrau, and M. E. Guerin
PACSAB: Coarse-Grained Force Field for the Study of Protein-Protein Interactions and Conformational Sampling in Multiprotein Systems

Journal of Chemical Theory and Computation

A. Emperador, P. Sfriso, M. Ariel Villarreal, J L. Gelpí, and M. Orozco
QM/MM Studies Reveal How Substrate-Substrate and Enzyme-Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism.

Advances in Protein Chemistry and Structural Biology

H. Gomez, F. Mendoza, J. M. Lluch, and L. Masgrau
Seven-Membered Ring Nucleoside Analogues: Stereoselective Synthesis and Studies on Their Conformational Properties.

Organic Letters

M. Habibian, S. Martínez-Montero, G. Portella, Z. Chua, S. D Bohle, M. Orozco, and M. J. Damha
The structural impact of DNA mismatches

Nucleic Acids Research

G. Rossetti, P. D. Dans, I. Gomez-Pinto, I. Ivani, C. González, and M. Orozco
3D multi-source CSEM simulations: feasibility and comparison of parallel direct solvers

SEG Technical Program Expanded Abstracts 2015

V. Puzyrev, and S. Koric
Characterization of aerosol episodes in the greater Mediterranean Sea area from satellite observations

Atmospheric Environment

A. Gkikas, N.. Hatzianastassiou, N. Mihalopoulos, and O.. Torres

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