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Mostrando 131 - 140 resultados de 198

2014

Differential Control of Heme Reactivity in Alpha and Beta Subunits of Hemoglobin: A Combined Raman Spectroscopic and Computational Study

Journal of the American Chemical Society

E. M. Jones, E. Monza, G. Balakrishnan, G. C. Blouin, P. J. Mak, Q. Zhu, J. R. Kincaid, V. Guallar, and T. G. Spiro
pyProCT: Automated Cluster Analysis for Structural Bioinformatics

Journal of Chemical Theory and Computation

V. AlejandroGil, and V. Guallar

2013

Monte Carlo Free Ligand Diffusion and Absolute Binding Free Energy Calculations

Molecular Kinetic 2013. Berlin, Germany

R. Takahashi
Mapping Complex Electron transfer in Proteins by Computational Tools

34 Reunión Bienal de la RSEQ, Santander, Spain

V. Guallar
QM and MM methods: Obtaining an electronic and atomic view of nature

Biology centre of the Academy of Sciences, Czech Republic

V. Guallar
QM and MM methods: Obtaining an electronic and atomic view of nature

2nd Synthetic Biology Minisymposium, National University of Singapore, Singapor

V. Guallar
Mapping Complex Electron transfer in Proteins by Computational Tools

V. Guallar
QM and MM methods: Obtaining an electronic and atomic view of nature

2nd Congress of Computational Biology and Bioinformatics, Manizales, Colombia

V. Guallar
QM and MM methods: Obtaining an electronic and atomic view of nature

V. Guallar
pyRMSD: a Python package for efficient pairwise RMSD matrix calculation and handling.

Bioinformatics (Oxford, England)

V. A. Gil, and V. Guallar

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