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The Journal of Physical Chemistry. A|January 8, 2021
Host-Guest Complexation of Cucurbit[7]Uril and Cucurbit[8]Uril with the Antineoplastic and Multiple Sclerosis Agent Mitoxantrone (Novantrone)Valya Nikolova, Anita Velinova, Stefan Dobrev, et al.
Journal of Molecular Graphics & Modelling|December 1, 2022
Host-guest complexation of cucurbit[7]uril and cucurbit[8]uril with the antimuscarinic drugs tropicamide and atropineValya Nikolova, Stefan Dobrev, Nikoleta Kircheva, et al.
Biomolecules|May 16, 2023
Cu+/Ag+ Competition in Type I Copper Proteins (T1Cu)Nikoleta Kircheva, Silvia Angelova, Stefan Dobrev, et al.
Molecules (Basel, Switzerland)|February 25, 2023
Metal-Assisted Complexation of Fluorogenic Dyes by Cucurbit[7]uril and Cucurbit[8]uril: A DFT Evaluation of the Key Factors Governing the Host-Guest RecognitionNikoleta Kircheva, Stefan Dobrev, Lyubima Dasheva, et al.
RSC Advances|May 6, 2022
Complexation of biologically essential (mono- and divalent) metal cations to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host-guest recognitionNikoleta Kircheva, Stefan Dobrev, Lyubima Dasheva, et al.
Beilstein Journal of Organic Chemistry|October 24, 2024
Deciphering the mechanism of γ-cyclodextrin's hydrophobic cavity hydration: an integrated experimental and theoretical studyStiliyana Pereva, Stefan Dobrev, Tsveta Sarafska, et al.
Physical Chemistry Chemical Physics : PCCP|March 1, 2022
Complexation of trivalent metal cations (Al3+, Ga3+, In3+, La3+, Lu3+) to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host-guest recognitionIskra Z Koleva, Stefan Dobrev, Nikoleta Kircheva, et al.
ACS Omega|March 21, 2022
Mini-Review on Structure-Reactivity Relationship for Aromatic Molecules: Recent AdvancesBoris Galabov, Sonia Ilieva, Diana Cheshmedzhieva, et al.
Molecules (Basel, Switzerland)|September 28, 2024
Density Functional Theory Prediction of Laser Dyes-Cucurbit[7]uril Binding AffinitiesVladislava Petkova, Stefan Dobrev, Nikoleta Kircheva, et al.
Molecules (Basel, Switzerland)|September 14, 2024
Naphthalimide-Based Amphiphiles: Synthesis and DFT Studies of the Aggregation and Interaction of a Simplified Model System with Water MoleculesVladislava Petkova, Denitsa Anastasova, Stefan Dobrev, et al.
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