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Publications by Richard J. Debus
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
Related publications
Vibrational Analysis of Boldine Hydrochloride Using QM/MM Approach
Spectroscopy
Classical Polarization in Hybrid QM/MM Methods
The MoD-QM/MM Methodology for Structural Refinement of Photosystem II and Other Biological Macromolecules
Photosynthesis Research
Medicine
Biochemistry
Plant Science
Cell Biology
Accurate Prediction of Protein-Ligand Binding by Combined Molecular Dynamics-Based Docking and QM/MM Methods
Biophysical Journal
Biophysics
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
Astronomy
Physics
Physical
Relative Ligand-Binding Free Energies Calculated From Multiple Short QM/MM MD Simulations
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Nano Drug Delivery Study of Anticancer Properties on Ginger Using QM/MM Methods
Oriental Journal of Chemistry
Biochemistry
Environmental Chemistry
Drug Discovery
Chemistry
Solution Structure and Ultrafast Vibrational Relaxation of the PtPOP Complex Revealed by ΔSCF-QM/MM Direct Dynamics Simulations
Journal of Physical Chemistry C
Surfaces
Energy
Nanoscience
Theoretical Chemistry
Optical
Magnetic Materials
Films
Nanotechnology
Electronic
Coatings
Physical
Solution Structure and Ultrafast Vibrational Relaxation of the PtPOP Complex Revealed by SCF-QM/MM Direct Dynamics Simulations
