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Donostia, March 5 -7; 2003
| Speaker | Title | Notes | |
| Chairman: J.M.
Lluch |
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| 9:00-9:40 | R.J. Boyd | "Towards
the Development of Theoretical Models for Biological Catalysis" |
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| 9:40-10:20 | A. Largo | "Synthetic
routes for interstellar organic and prebiotic molecules" |
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| 10:20-10:40 | Coffee Break | ||
| Chairman: L.A.
Eriksson |
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| 10:40-11:20 | J.M. Mercero | "Aluminum Interactions with Aminoacid Side
Chains in a Protein Model Environment" |
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| 11:20-12:00 | Bo Durbeej | "Some
Applications of Time-Dependent Density Functional Methods to Biochemical
Systems" |
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| 12:00-12:40 | Jordi Villa | "Ion
channels: through the hole and over the mountain" |
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| 12:40-15:00 | Lunch | ||
| Chairman: J.
M. Lluch |
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| 15:00-15:40 | A. Gonzalez-Lafont | "On
the location of stationary points in enzymatic catalysis: Mandelate
Racemase as an example" |
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| 15:40-16:20 | J. I. Mujika | "Theoretical study of the cleavage of the peptide bond"
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| Speaker | Title | Notes | |
| Chairman: J.
Andres |
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| 9:00-9:40 | Roland Stote |
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| 9:40-10:20 | V. Moliner |
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| 10:20-10:40 | Coffee Break | ||
| Chairman: J.M.
Ugalde |
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| 10:40-11:20 | N. Russo | "A
DFT investigation of some biomolecular systems" |
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| 11:20-12:00 | U. Ugalde | "Microbial
Autoinducers: Molecular Structure and Biological Function" |
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| 12:00-12:40 | Eider San Sebastian |
"Molecular
Modelization of Antimetastatic Drugs and Drug Targets" |
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| 12:40-15:00 | Lunch | ||
| Chairman: L.A.
Eriksson |
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| 15:00-15:40 | A. Zubia | "Antimetastatic drugs: an example of synthesis based
on theoretical design" |
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| 15:40-16:20 | X. Lopez | "QM and QM/MM Studies on Phosphate Diester Hydrolysis
Reactions" |
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| 16:20-16:40 | Coffee Break | ||
| 16:40-18:00 | POSTER SESSION |
| Speaker | Title | Notes | |
| Chairman: J.
Andres |
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| 9:00-9:40 | Fahmi Himo | "DFT Studies of Radical Enzymes" | |
| 9:40-10:20 | A. Rubio | "Optical
properties of biomolecules within TDDFT: excited state electron ion dynamics" |
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| 10:20-10:40 | Coffee Break | ||
| Chairman: J.M.
Ugalde |
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| 10:40-11:20 | Miquel Duran |
"A
new vision of aromaticity through the electron-pair density" |
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| 11:20-12:00 | Jorge Llano | Thermochemistry
of Electron, Proton, and Proton-Coupled Electron Transfer Reactions in Solution |
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| 12:00-12:40 | Darrin York | "Computational Methods for RNA Catalysis" |