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Publications by Daniel A. B. de Oliveira
QM/MM (ONIOM) Calculation on FAK/Dasatinib Docking
Revista Processos Químicos
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Investigation of Optoelectronic Properties of N3 Dye-Sensitized TiO2 Nano-Crystals by Hybrid Methods: ONIOM (QM/MM) Calculations
International Nano Letters
Medicine
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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
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Accurate Prediction of Protein-Ligand Binding by Combined Molecular Dynamics-Based Docking and QM/MM Methods
Biophysical Journal
Biophysics
Role of Mg2+ and Ca2+ in DNA Bending: Evidence From an ONIOM-Based QM-MM Study of a DNA Fragment
The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study
Frontiers in Chemistry
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On the Difference Between Additive and Subtractive QM/MM Calculations
Frontiers in Chemistry
Chemistry
Classical Polarization in Hybrid QM/MM Methods
QM/MM Study of the Taxadiene Synthase Mechanism
Journal of Computational Chemistry
Computational Mathematics
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Vibrational Analysis of Boldine Hydrochloride Using QM/MM Approach
Spectroscopy
