Search Results - "Dobrev, Stefan"

Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca2+/Ln3+ Competition by Nikolova, Valya, Kircheva, Nikoleta, Dobrev, Stefan, Angelova, Silvia, Dudev, Todor

“…Lanthanides, the 14 4f-block elements plus Lanthanum, have been extensively used to study the structure and biochemical properties of metalloproteins. The…”
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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 Recognition by Kircheva, Nikoleta, Dobrev, Stefan, Dasheva, Lyubima, Nikolova, Valya, Angelova, Silvia, Dudev, Todor

“…With the emergence of host-guest systems, a novel branch of complexation chemistry has found wide application in industries such as food, pharmacy, medicine,…”
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N -Methyl- and N -Phenylpiperazine Functionalized Styryl Dyes Inside Cucurbiturils: Theoretical Assessment of the Factors Governing the Host-Guest Recognition by Kircheva, Nikoleta, Petkova, Vladislava, Dobrev, Stefan, Nikolova, Valya, Angelova, Silvia, Dudev, Todor

“…The family of cucurbiturils (CBs), the unique pumpkin-shaped macrocycles, has received great attention over the past four decades owing to their remarkable…”
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Theoretical Assessment of the Ligand/Metal/Quadruplex Recognition in the Non-Canonical Nucleic Acids Structures by Kircheva, Nikoleta, Dobrev, Stefan, Petkova, Vladislava, Bakalova, Snezhana, Kaneti, Jose, Angelova, Silvia

“…Quadruplexes (GQs), peculiar DNA/RNA motifs concentrated in specific genomic regions, play a vital role in biological processes including telomere stability…”
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Density Functional Theory Prediction of Laser Dyes-Cucurbit[7]uril Binding Affinities by Petkova, Vladislava, Dobrev, Stefan, Kircheva, Nikoleta, Nazarova, Dimana, Nedelchev, Lian, Nikolova, Valya, Dudev, Todor, Angelova, Silvia

“…Among a variety of diverse host molecules distinguished by specific characteristics, the cucurbit[n]uril (CB) family stands out, being widely known for the…”
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Asynchronous Gathering in a Dangerous Ring by Dobrev, Stefan, Flocchini, Paola, Prencipe, Giuseppe, Santoro, Nicola

“…Consider a set of k identical asynchronous mobile agents located in an anonymous ring of n nodes. The classical Gather (or Rendezvous) problem requires all…”
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Deciphering the mechanism of γ-cyclodextrin's hydrophobic cavity hydration: an integrated experimental and theoretical study by Pereva, Stiliyana, Dobrev, Stefan, Sarafska, Tsveta, Nikolova, Valya, Angelova, Silvia, Spassov, Tony, Dudev, Todor

“…Cyclodextrins (CDs) are host systems with inherent capability for inclusion complex formation with various molecular entities, mostly hydrophobic substances…”
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Complexation of trivalent metal cations (Al 3+ , Ga 3+ , In 3+ , La 3+ , Lu 3+ ) to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host-guest recognition by Koleva, Iskra Z, Dobrev, Stefan, Kircheva, Nikoleta, Dasheva, Lyubima, Nikolova, Valya, Angelova, Silvia, Dudev, Todor

“…Cucurbiturils (CBs), the pumpkin-shaped macrocycles, are suitable hosts for an array of neutral and cationic species. A plethora of host-guest complexes…”
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Naphthalimide-Based Amphiphiles: Synthesis and DFT Studies of the Aggregation and Interaction of a Simplified Model System with Water Molecules by Petkova, Vladislava, Anastasova, Denitsa, Dobrev, Stefan, Mutovska, Monika, Kircheva, Nikoleta, Nikolova, Valya, Kolev, Spas D, Stoyanov, Stanimir, Zagranyarski, Yulian, Dudev, Todor, Angelova, Silvia

“…Systems containing amphiphilic/pathic molecules have the tremendous capacity to self-assemble under appropriate conditions to form morphologies with…”
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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 Strategy by Kircheva, Nikoleta, Dobrev, Stefan, Petkova, Vladislava, Yocheva, Lyubima, Angelova, Silvia, Dudev, Todor

“…The emergence of multidrug-resistant (MDR) microorganisms combined with the ever-draining antibiotic pipeline poses a disturbing and immensely growing public…”
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Cu + /Ag + Competition in Type I Copper Proteins (T1Cu) by Kircheva, Nikoleta, Angelova, Silvia, Dobrev, Stefan, Petkova, Vladislava, Nikolova, Valya, Dudev, Todor

“…Due to the similarity in the basic coordination behavior of their mono-charged cations, silver biochemistry is known to be linked to that of copper in…”
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Synthesis, In Silico Logp Study, and In Vivo Analgesic Activity of Analogs of Tetrapeptide FELL by Borisova, Boryana, Nocheva, Hristina, Gérard, Stéphane, Laronze-Cochard, Marie, Dobrev, Stefan, Angelova, Silvia, Petrin, Stoyko, Danalev, Dancho

“…Background: The inflammatory process represents a specific response of the organism’s immune system. More often, it is related to the rising pain in the…”
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Synthesis, Antiproliferative Effect and In Silico LogP Prediction of BIM-23052 Analogs Containing Tyr Instead of Phe by Danalev, Dancho, Iliev, Ivan, Dobrev, Stefan, Angelova, Silvia, Petrin, Stoiko, Dzimbova, Tatyana, Ivanova, Elena, Borisova, Dessislava, Naydenova, Emilia

“…(1) Background: Hydrophobicity (or lipophilicity) is a limiting factor in the ability of molecules to pass through cell membranes and to perform their…”
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Unusual Para-Substituent Effects on the Intramolecular Hydrogen Bond in Hydrazone-Based Switches: Insights from Chemical Landscape Analysis and DFT Calculations by Paskaleva, Vesselina, Dobrev, Stefan, Kochev, Nikolay, Angelova, Silvia, Antonov, Liudmil

“…Тhe adequacy of chemical property predictions strongly depends on the structure representation, including the proper treatment of the tautomeric and isomeric…”
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Exploring an unknown dangerous graph using tokens by Dobrev, Stefan, Flocchini, Paola, Královič, Rastislav, Santoro, Nicola

“…Consider a team of (one or more) mobile agents operating in a graph G. Unaware of the graph topology and starting from the same node, the team must explore the…”
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Mobile search for a black hole in an anonymous ring by DOBREV, Stefan, FLOCCHINI, Paola, PRENCIPE, Giuseppe, SANTORO, Nicola

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Searching for a black hole in arbitrary networks: optimal mobile agents protocols by Dobrev, Stefan, Flocchini, Paola, Prencipe, Giuseppe, Santoro, Nicola

“…Consider a networked environment, supporting mobile agents, where there is a black hole: a harmful host that disposes of visiting agents upon their arrival,…”
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Theoretical Insight into the Phosphate-Targeted Silver’s Antibacterial Action: Differentiation between Gram (+) and Gram (−) Bacteria by Kircheva, Nikoleta, Dobrev, Stefan, Nikolova, Valya, Angelova, Silvia, Dudev, Todor

“…Although silver is one of the first metals finding broad applications in everyday life, specific key points of the intimate mechanism of its…”
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Zinc and Its Critical Role in Retinitis pigmentosa: Insights from DFT/SMD Calculations by Kircheva, Nikoleta, Dobrev, Stefan, Nikolova, Valya, Angelova, Silvia, Dudev, Todor

“…Metal cations are required for the proper function of a great amount of biological processes, as they are indispensable cofactors participating in up to 40% of…”
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Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca[sup.2+]/Ln[sup.3+] Competition by Nikolova, Valya, Kircheva, Nikoleta, Dobrev, Stefan, Angelova, Silvia, Dudev, Todor

“…Lanthanides, the 14 4f-block elements plus Lanthanum, have been extensively used to study the structure and biochemical properties of metalloproteins. The…”
Get full text