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Publications by Frank De Proft
Molecular Dynamics Based Descriptors for Predicting Supramolecular Gelation
Chemical Science
Chemistry
The Hunt for Reactive Alkynes in Bio-Orthogonal Click Reactions: Insights From Mechanochemical and Conceptual DFT Calculations
Chemical Science
Chemistry
Related publications
QSAR Modeling for Predicting Carcinogenic Potency of Nitroso-Compounds Using 0d-2d Molecular Descriptors
Pillararene-Based Fluorescent Supramolecular Systems: The Key Role of Chain Length in Gelation
Macromolecular Rapid Communications
Organic Chemistry
Polymers
Materials Chemistry
Plastics
QSPR Models for Predicting Critical Micelle Concentration of Gemini Cationic Surfactants Combining Machine-Learning Methods and Molecular Descriptors
Frontispiece: Peptide-Based Molecular Hydrogels as Supramolecular Protein Mimics
Chemistry - A European Journal
Organic Chemistry
Catalysis
Chemistry
Characterization of Supramolecular Polyphenol-Chromium(III) Clusters by Molecular Dynamics Simulations
Molecular Interaction Fields Based Descriptors to Interpret and Compare Chromatographic Indexes
Journal of Chromatography A
Medicine
Organic Chemistry
Analytical Chemistry
Biochemistry
Predicting Switch-Like Behavior in Proteins Using Logistic Regression on Sequence-Based Descriptors
Predicting Intersystem Crossing Rates With AIMS-DFT Molecular Dynamics
Predicting Displaceable Water Sites Using Mixed-Solvent Molecular Dynamics
