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Mostrando 151 - 160 resultados de 198

2012

Cisplatin, still a long way to go

TACC-2012, Theory and Applications in Computational Chemistry. Pavia, Lombardia, Italy

F. M. Lucas
Ligand migration in Globins

International Conference on Oxygen Binding and Sensing Proteins (O2BiP), Parma, (Italy)

V. Guallar
PELE: Low Cost Protein-Ligand Dynamics and Induced Fit

Structural & Computational Chemistry, Discovery Congress Chemistry, Munich (Germany)

V. Guallar
PELE: Low Cost Protein-Ligand Dynamics and Induced Fit

Structural & Computational Chemistry, Discovery Congress Chemistry, Munich (Germany)

V. Guallar
Mapping ligand dynamics pathways in globin systems

II International BIC Symposium, University of Canterbury, ChristChurch, New Zealand

V. Guallar
Using QM/MM Methods for the Exploration of Electron Transfer Pathways

Current Inorganic Chemistry

F. Lucas, D. Masone, S. Saen-oon, F. Wallrapp, and V. Guallar
Exploration of Protein Conformational Change with PELE and Meta-Dynamics

Journal of Chemical Theory and Computation

B. P. Cossins, A. Hosseini, and V. Guallar
Role of active site histidines in the two half-reactions of the aryl-alcohol oxidase catalytic cycle.

Biochemistry

A. Hernández-Ortega, F. Lucas, P. Ferreira, M. Medina, V. Guallar, and A. T. Martínez
H-bond network optimization in protein-protein complexes: are all-atom force field scores enough?

Proteins

D. Masone, I. Cabeza de Vaca, C. Pons, J. Fernández-Recio, and V. Guallar
Two tyrosyl radicals stabilize high oxidation States in cytochrome C oxidase for efficient energy conservation and proton translocation.

Journal of the American Chemical Society

M. A. Yu, T. Egawa, K. Shinzawa-Itoh, S. Yoshikawa, V. Guallar, S-R. Yeh, D. L. Rousseau, and G. J. Gerfen

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