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Scientific Reports|January 10, 2023
A strategy for evaluating potential antiviral resistance to small molecule drugs and application to SARS-CoV-2Karen Sargsyan, Karine Mazmanian, Carmay LimPhysical Chemistry Chemical Physics : PCCP|November 17, 2018
An efficient protocol for computing the pKa of Zn-bound waterCédric Grauffel, Benjamin Chu, Carmay LimInorganic Chemistry|August 8, 2024
Implementation of Three Gallium-Based Complexes in the "Trojan Horse" Antibacterial Strategy against A. baumannii: A DFT ApproachNikoleta Kircheva, Stefan Dobrev, Valya Nikolova, et al.Molecules (Basel, Switzerland)|December 23, 2023
N-Methyl- and N-Phenylpiperazine Functionalized Styryl Dyes Inside Cucurbiturils: Theoretical Assessment of the Factors Governing the Host-Guest RecognitionNikoleta Kircheva, Vladislava Petkova, 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.The Journal of Physical Chemistry. B|August 27, 2009
Factors governing metal-ligand distances and coordination geometries of metal complexesGopi Kuppuraj, Minko Dudev, Carmay LimBiomolecules|April 27, 2024
In Silico Analysis of the Ga3+/Fe3+ Competition for Binding the Iron-Scavenging Siderophores of P. aeruginosa-Implementation of Three Gallium-Based Complexes in the "Trojan Horse" Antibacterial StrategyNikoleta Kircheva, Stefan Dobrev, Vladislava Petkova, et al.Biomolecules|November 27, 2021
Ca2+/Sr2+ Selectivity in Calcium-Sensing Receptor (CaSR): Implications for Strontium's Anti-Osteoporosis EffectDiana Cheshmedzhieva, Sonia Ilieva, Eugene A Permyakov, et al.Pageof 18