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Publications in Theoretical Chemistry

Chiral Discrimination of Α-Hydroxy Acids and N-Ts-Α-Amino Acids Induced by Tetraaza Macrocyclic Chiral Solvating Agents by Using1H NMR Spectroscopy

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2017English

Issue Publication Information

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2018English

Modeling the Relationship Between the P53 C-Terminal Domain and Its Binding Partners Using Molecular Dynamics

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2010English

Reaction Mechanism for Direct Proton Transfer From Carbonic Acid to a Strong Base in Aqueous Solution I: Acid and Base Coordinate and Charge Dynamics

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2016English

Stereodivergent Routes in Organic Synthesis: Carbohydrates, Amino Acids, Alkaloids and Terpenes

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2020English

Complete Reaction Mechanism of Indoleamine 2,3-Dioxygenase as Revealed by QM/MM Simulations

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

Seven-Coordinate Anion Complex With a Tren-Based Urea: Binding Discrepancy of Hydrogen Sulfate in Solid and Solution States

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2011English

Optimised Approach to Albumin–drug Conjugates Using Monobromomaleimide-C-2 Linkers

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2019English

Correction: Supramolecular Metalloglycodendrimers Selectively Modulate Lectin Binding and Delivery of Ru(ii) Complexes Into Mammalian Cells

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2016English

Multireference Ab Initio Calculations Ofgtensors for Trinuclear Copper Clusters in Multicopper Oxidases

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2010English

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