Dudev, Todor: search on Z-Library

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1

Monodentate versus Bidentate Carboxylate Binding in Magnesium and Calcium Proteins: What Are the Basic Principles?

Dudev, Todor, Lim, Carmay

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 281 KB

english, 2004

2

Creation of intensity theory in vibrational spectroscopy: Key role of ab initio quantum mechanical calculations

Boris Galabov, Todor Dudev, Sonia Ilieva, James R. Durig

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 236 KB

english, 1998

3

Factors Governing the Metal Coordination Number in Metal Complexes from Cambridge Structural Database Analyses

Dudev, Minko, Wang, Jonathan, Dudev, Todor, Lim, Carmay

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 160 KB

english, 2006

4

Competition Between Li+ and Na+ in Sodium Transporters and Receptors: Which Na+-Binding Sites are “Therapeutic” Li+ Targets?

Dudev, Todor, Mazmanian, Karine, Lim, Carmay

Journal:

Chemical Science

Year:

2018

Language:

english

File:

PDF, 1.59 MB

english, 2018

5

Competitive Binding in Magnesium Coordination Chemistry: Water versus Ligands of Biological Interest

Dudev, Todor, Cowan, J. A., Lim, Carmay

Journal:

Journal of the American Chemical Society

Year:

1999

Language:

english

File:

PDF, 121 KB

english, 1999

6

Metal Binding Affinity and Selectivity in Metalloproteins: Insights from Computational Studies

Dudev, Todor, Lim, Carmay

Journal:

Annual Review of Biophysics

Year:

2008

Language:

english

File:

PDF, 670 KB

english, 2008

7

Factors Governing the Host–Guest Interactions between IIA/IIB Group Metal Cations and α-Cyclodextrin: A DFT/CDM Study

Angelova, Silvia, Nikolova, Valia, Molla, Nevse, Dudev, Todor

Journal:

Inorganic Chemistry

Year:

2017

Language:

english

File:

PDF, 4.73 MB

english, 2017

8

Factors Governing the Protonation State of Cysteines in Proteins: An Ab Initio/CDM Study

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 96 KB

english, 2002

9

Mononuclear versus Binuclear Metal-Binding Sites: Metal-Binding Affinity and Selectivity from PDB Survey and DFT/CDM Calculations

Yang, Tsung-Ying, Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 234 KB

english, 2008

10

How First Shell–Second Shell Interactions and Metal Substitution Modulate Protein Function

Mazmanian, Karine, Dudev, Todor, Lim, Carmay

Journal:

Inorganic Chemistry

Year:

2018

Language:

english

File:

PDF, 3.15 MB

english, 2018

11

Principles Governing Mg, Ca, and Zn Binding and Selectivity in Proteins

Todor Dudev, Carmay Lim

Journal:

Year:

2003

File:

PDF, 55 KB

2003

12

Factors Controlling the Mechanism of NAD + Non-Redox Reactions

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 4.81 MB

english, 2010

13

Metal-Binding Affinity and Selectivity of Nonstandard Natural Amino Acid Residues from DFT/CDM Calculations

Dudev, Todor, Lim, Carmay

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 3.95 MB

english, 2009

14

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

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

Journal:

Beilstein Journal of Organic Chemistry

Year:

2019

Language:

english

File:

PDF, 4.78 MB

english, 2019

15

Why Cellular Di/Triphosphates Preferably Bind Mg 2+ and Not Ca 2+

Grauffel, Cédric, Dudev, Todor, Lim, Carmay

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 2.66 MB

english, 2019

16

Effect of Carboxylate-Binding Mode on Metal Binding/Selectivity and Function in Proteins

Dudev, Todor, Lim, Carmay

Journal:

Accounts of Chemical Research

Year:

2007

Language:

english

File:

PDF, 487 KB

english, 2007

17

Selectivity Mechanism of the Voltage-gated Proton Channel, HV1

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

Journal:

Scientific Reports

Year:

2015

Language:

english

File:

PDF, 1.39 MB

english, 2015

18

Quantum-chemistry based calibration of the alkali metal cation series (Li + Cs + ) for large-scale polarizable molecular mechanics/dynamics simulations

Dudev, Todor, Devereux, Mike, Meuwly, Markus, Lim, Carmay, Piquemal, Jean-Philip, Gresh, Nohad

Journal:

Journal of Computational Chemistry

Year:

2015

Language:

english

File:

PDF, 1.03 MB

english, 2015

19

Cyclodextrin-Based Solid–Gas Clathrates

Pereva, Stiliana, Himitliiska, Tsveta, Spassov, Tony, Stoyanov, Simeon D., Arnaudov, Luben N., Dudev, Todor

Journal:

Journal of Agricultural and Food Chemistry

Year:

2015

Language:

english

File:

PDF, 3.35 MB

english, 2015

20

Gallium as an Antibacterial Agent: A DFT/SMD Study of the Ga 3+ /Fe 3+ Competition for Binding Bacterial Siderophores

Kircheva, Nikoleta, Dudev, Todor

Journal:

Inorganic Chemistry

Year:

2020

File:

PDF, 5.68 MB

2020

21

Zinc and Its Critical Role in Retinitis pigmentosa : Insights from DFT/SMD Calculations

Kircheva, Nikoleta, Dobrev, Stefan, Nikolova, Valya, Angelova, Silvia, Dudev, Todor

Journal:

Inorganic Chemistry

Year:

2020

File:

PDF, 2.96 MB

2020

22

Predicted Raman Intensities of CH3CCH, CH3CCD, CD3CCH, CD3CCD and 12CH313C13CH

Journal:

Journal of Raman Spectroscopy

Year:

1997

Language:

english

File:

PDF, 317 KB

english, 1997

23

Gallium as a Therapeutic Agent: A Thermodynamic Evaluation of the Competition between Ga3+ and Fe3+ Ions in Metalloproteins

Nikolova, Valia, Angelova, Silvia E., Markova, Nikoleta, Dudev, Todor

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 1.58 MB

english, 2016

24

Ring Strain Energies from ab Initio Calculations

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 285 KB

english, 1998

25

Factors Governing the Substitution of La 3+ for Ca 2+ and Mg 2+ in Metalloproteins: A DFT/CDM Study

Dudev, Todor, Chang, Li-Ying, Lim, Carmay

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 389 KB

english, 2005

26

How an electric field can modulate the metal ion selectivity of protein binding sites: insights from DFT/PCM calculations

Dudev, Todor, Ilieva, Sonia Varbanova, Doudeva, Lyudmila

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.20 MB

english, 2018

27

Competition between abiogenic and biogenic metal cations in biological systems: Mechanisms of galliumâs anticancer and antibacterial effect

Kircheva, Nikoleta, Dudev, Todor

Journal:

Journal of Inorganic Biochemistry

Year:

2020

File:

PDF, 2.38 MB

2020

28

A DFT/CDM Study of Metal−Carboxylate Interactions in Metalloproteins: Factors Governing the Maximum Number of Metal-Bound Carboxylates

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 383 KB

english, 2006

29

Metal Selectivity in Metalloproteins: Zn 2+ vs Mg 2+

Dudev, Todor, Lim, Carmay

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 80 KB

english, 2001

30

All-Electron Calculations of the Nucleation Structures in Metal-Induced Zinc-Finger Folding: Role of the Peptide Backbone

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 363 KB

english, 2007

31

Novel Insights into Gallium’s Mechanism of Therapeutic Action: A DFT/PCM Study of the Interaction between Ga 3+ and Ribonucleotide Reductase Substrates

Kircheva, Nikoleta, Dudev, Todor

Journal:

Journal of Physical Chemistry B

Year:

2019

Language:

english

File:

PDF, 1.98 MB

english, 2019

32

Inclusion complexes of ibuprofen and β-cyclodextrin: Supramolecular structure and stability

Pereva, Stiliyana, Nikolova, Valya, Sarafska, Tsveta, Angelova, Silvia, Spassov, Tony, Dudev, Todor

Journal:

Journal of Molecular Structure

Year:

2020

File:

PDF, 3.24 MB

2020

33

Why voltage-gated Ca2+ and bacterial Na+ channels with the same EEEE motif in their selectivity filters confer opposite metal selectivity

Dudev, Todor, Lim, Carmay

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.00 MB

english, 2012

34

Ion Selectivity Strategies of Sodium Channel Selectivity Filters

Dudev, Todor, Lim, Carmay

Journal:

Accounts of Chemical Research

Year:

2014

Language:

english

File:

PDF, 1.45 MB

english, 2014

35

Determinants of Fe 2+ over M 2+ (M = Mg, Mn, Zn) Selectivity in Non-Heme Iron Proteins

Dudev, Todor, Nikolova, Valia

Journal:

Inorganic Chemistry

Year:

2016

Language:

english

File:

PDF, 973 KB

english, 2016

36

Infrared spectra of Langmuir—Blodgett multilayers of docosylammonium phosphate

Angelina Angelova, Jordan G. Petrov, Todor Dudev, Boris Galabov

Journal:

Colloids and Surfaces

Year:

1991

Language:

english

File:

PDF, 1.38 MB

english, 1991

37

The effect of metal binding on the characteristic infrared band intensities of ligands of biological interest

Todor Dudev, Carmay Lim

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 416 KB

english, 2012

38

Interpretation of Raman intensities: effective induced bond charges from atomic polarizability tensors

Todor Dudev, Boris Galabov

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

1996

Language:

english

File:

PDF, 681 KB

english, 1996

39

Metal Binding in Proteins: The Effect of the Dielectric Medium

Dudev, Todor, Lim, Carmay

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 43 KB

english, 2000

40

How Native and Non-Native Cations Bind and Modulate the Properties of GTP/ATP

Dudev, Todor, Grauffel, Cédric, Hsu, Shang-Te Danny, Lim, Carmay

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.14 MB

english, 2018

41

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

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

Journal:

Year:

2020

File:

PDF, 3.31 MB

2020

42

Interpretation of carbonyl stretching band intensities in the infrared spectra: an ab initio MO study

Boris Galabov, Petia Bobadova-Parvanova, Todor Dudev

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 183 KB

english, 1997

43

Importance of Metal Hydration on the Selectivity of Mg 2+ versus Ca 2+ in Magnesium Ion Channels

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 2.43 MB

english, 2013

44

Oxyanion Selectivity in Sulfate and Molybdate Transport Proteins: An ab Initio/CDM Study

Dudev, Todor, Lim, Carmay

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 154 KB

english, 2004

45

Competition among Ca 2+ , Mg 2+ , and Na + for Model Ion Channel Selectivity Filters: Determinants of Ion Selectivity

Dudev, Todor, Lim, Carmay

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 2.65 MB

english, 2012

46

How the extra methylene group affects the ligation properties of Glu vs. Asp and Gln vs. Asn amino acids: a DFT/PCM study

Dudev, Todor, Doudeva, Lyudmila

Journal:

Journal of Molecular Modeling

Year:

2017

Language:

english

File:

PDF, 1.23 MB

english, 2017

47

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

Dudev, Todor, Grauffel, Cédric, Lim, Carmay

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 1.57 MB

english, 2017

48

How Pb 2+ Binds and Modulates Properties of Ca 2+ -Signaling Proteins

Dudev, Todor, Grauffel, Cédric, Lim, Carmay

Journal:

Inorganic Chemistry

Year:

2018

Language:

english

File:

PDF, 4.02 MB

english, 2018

49

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

Pereva, Stiliyana, Nikolova, Valya, Angelova, Silvia, Spassov, Tony, Dudev, Todor

Journal:

Beilstein Journal of Organic Chemistry

Year:

2019

File:

PDF, 6.94 MB

2019

50

Why Cellular Di/Triphosphates Preferably Bind Mg 2+ and Not Ca 2+

Grauffel, Cédric, Dudev, Todor, Lim, Carmay

Journal:

Journal of Chemical Theory and Computation

Year:

2019

File:

PDF, 2.66 MB

2019

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