How Theoretical Evaluations Can Generate Guidelines for Designing/Engineering Metalloproteins with Desired Metal Affinity and Selectivity

por Dudev, Todor
Publicado 2022

Ion Selectivity in the Selectivity Filters of Acid-Sensing Ion Channels

por Dudev, Todor, Lim, Carmay
Publicado 2015

How Native and Alien Metal Cations Bind ATP: Implications for Lithium as a Therapeutic Agent

por Dudev, Todor, Grauffel, Cédric, Lim, Carmay
Publicado 2017

Competition between Li(+) and Na(+) in sodium transporters and receptors: Which Na(+)-Binding sites are “therapeutic” Li(+) targets?

por Dudev, Todor, Mazmanian, Karine, Lim, Carmay
Publicado 2018

A DFT/PCM Study on the Affinity of Salinomycin to Bind Monovalent Metal Cations

por Dudev, Todor, Cheshmedzhieva, Diana, Dorkov, Peter, Pantcheva, Ivayla
Publicado 2022

Trinuclear Calcium Site in the C2 Domain of PKCα/γ Is Prone to Lithium Attack

por Grauffel, Cédric, Weng, Wei-Hsiang, Dudev, Todor, Lim, Carmay
Publicado 2021

Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca(2+)/Ln(3+) Competition

por Nikolova, Valya, Kircheva, Nikoleta, Dobrev, Stefan, Angelova, Silvia, Dudev, Todor
Publicado 2023

Water inside β-cyclodextrin cavity: amount, stability and mechanism of binding

por Pereva, Stiliyana, Nikolova, Valya, Angelova, Silvia, Spassov, Tony, Dudev, Todor
Publicado 2019

Factors governing the competition between group IA and IB cations for monensin A: a DFT/PCM study

por Dudev, Todor, Cheshmedzhieva, Diana, Dimitrova, Radoslava, Dorkov, Peter, Pantcheva, Ivayla
Publicado 2020

Synthesis, Photophysical Characterization, and Sensor Activity of New 1,8-Naphthalimide Derivatives

por Yordanova-Tomova, Stanislava, Cheshmedzhieva, Diana, Stoyanov, Stanimir, Dudev, Todor, Grabchev, Ivo
Publicado 2020

Cu(+)/Ag(+) Competition in Type I Copper Proteins (T1Cu)

por Kircheva, Nikoleta, Angelova, Silvia, Dobrev, Stefan, Petkova, Vladislava, Nikolova, Valya, Dudev, Todor
Publicado 2023

Host–guest interactions between p-sulfonatocalix[4]arene and p-sulfonatothiacalix[4]arene and group IA, IIA and f-block metal cations: a DFT/SMD study

por Nikolova, Valya K, Kirkova, Cristina V, Angelova, Silvia E, Dudev, Todor M
Publicado 2019

Ca(2+)/Sr(2+) Selectivity in Calcium-Sensing Receptor (CaSR): Implications for Strontium’s Anti-Osteoporosis Effect

por Cheshmedzhieva, Diana, Ilieva, Sonia, Permyakov, Eugene A., Permyakov, Sergei E., Dudev, Todor
Publicado 2021

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

por Kircheva, Nikoleta, Dobrev, Stefan, Dasheva, Lyubima, Nikolova, Valya, Angelova, Silvia, Dudev, Todor
Publicado 2023

Complexation of biologically essential (mono- and divalent) metal cations to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host–guest recognition

por Kircheva, Nikoleta, Dobrev, Stefan, Dasheva, Lyubima, Koleva, Iskra, Nikolova, Valya, Angelova, Silvia, Dudev, Todor
Publicado 2020

Selectivity Mechanism of the Voltage-gated Proton Channel, H(V)1

por Dudev, Todor, Musset, Boris, Morgan, Deri, Cherny, Vladimir V., Smith, Susan M. E., Mazmanian, Karine, DeCoursey, Thomas E., Lim, Carmay
Publicado 2015

Strontium Binding to α-Parvalbumin, a Canonical Calcium-Binding Protein of the “EF-Hand” Family

por Vologzhannikova, Alisa A., Shevelyova, Marina P., Kazakov, Alexey S., Sokolov, Andrey S., Borisova, Nadezhda I., Permyakov, Eugene A., Kircheva, Nikoleta, Nikolova, Valya, Dudev, Todor, Permyakov, Sergei E.
Publicado 2021