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Publications by José A. Gascón

The MoD-QM/MM Methodology for Structural Refinement of Photosystem II and Other Biological Macromolecules

Photosynthesis Research

English

Related publications

Identifying Carboxylate Ligand Vibrational Modes in Photosystem II With QM/MM Methods

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

A QM/MM and QM/QM/MM Study of Kerr, Cotton–Mouton and Jones Linear Birefringences in Liquid Acetonitrile

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

QM/MM Study of the Taxadiene Synthase Mechanism

Journal of Computational Chemistry

Computational Mathematics

English

Structural Determination of the Photosystem II Core Complex From Spinach

Molecular Biology

English

On the Difference Between Additive and Subtractive QM/MM Calculations

Frontiers in Chemistry

English

Structural Basis of Light‐harvesting in the Photosystem II Core Complex

Protein Science

Molecular Biology

English

Structural Features of the Diatom Photosystem II–light‐harvesting Antenna Complex

Molecular Biology

English

Biological Replication of Macromolecules

Journal of Chemical Education

English

Classical Polarization in Hybrid QM/MM Methods

English