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Publications by V. Gogonea
A Regularized and Renormalized Electrostatic Coupling Hamiltonian for Hybrid Quantum-Mechanical–molecular-Mechanical Calculations
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
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Multiconfiguration Molecular Mechanics Based on Combined Quantum Mechanical and Molecular Mechanical Calculations
Ewald Mesh Method for Quantum Mechanical Calculations
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The Electrostatic Potential Profile Along a Biased Molecular Wire: A Model Quantum-Mechanical Calculation
Journal of Chemical Physics
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Fundamental Reaction Pathway for Peptide Metabolism by Proteasome: Insights From First-Principles Quantum Mechanical/Molecular Mechanical Free Energy Calculations
Journal of Physical Chemistry B
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Density-Fragment Interaction Approach for Quantum-Mechanical/Molecular-Mechanical Calculations With Application to the Excited States of a Mg2+-Sensitive Dye
Journal of Chemical Physics
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Catalytic Mechanism of Glycosyltransferases: Hybrid Quantum Mechanical/Molecular Mechanical Study of the Inverting N-Acetylglucosaminyltransferase I
A Pseudobond Parametrization for Improved Electrostatics in Quantum Mechanical/Molecular Mechanical Simulations of Enzymes
Journal of Chemical Physics
Medicine
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Sparse Non-Blocking Collectives in Quantum Mechanical Calculations
Lecture Notes in Computer Science
Computer Science
Theoretical Computer Science
Nanotechnology, From Quantum Mechanical Calculations Up to Drug Delivery
International Journal of Nanomedicine
Organic Chemistry
Biophysics
Biomaterials
Pharmaceutical Science
Medicine
Bioengineering
Drug Discovery
Nanoscience
Nanotechnology
