Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A–H Peptides of Marine Origin Studied by Means of Conceptual DFT
Published 2018 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A–H Peptides of Marine Origin Studied by Means of Conceptual DFT
Authors
Keywords
-
Journal
Marine Drugs
Volume 16, Issue 9, Pages 302
Publisher
MDPI AG
Online
2018-08-29
DOI
10.3390/md16090302
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Blue M2: an intermediate melanoidin studied via conceptual DFT
- (2018) Juan Frau et al. JOURNAL OF MOLECULAR MODELING
- Molecular Reactivity and Absorption Properties of Melanoidin Blue-G1 through Conceptual DFT
- (2018) Juan Frau et al. MOLECULES
- Conceptual DFT study of the local chemical reactivity of the dilysyldipyrrolones A and B intermediate melanoidins
- (2018) Juan Frau et al. THEORETICAL CHEMISTRY ACCOUNTS
- Computational study of the chemical reactivity of the Blue-M1 intermediate melanoidin
- (2018) Juan Frau et al. Computational and Theoretical Chemistry
- Conceptual DFT Study of the Local Chemical Reactivity of the Colored BISARG Melanoidin and Its Protonated Derivative
- (2018) Juan Frau et al. Frontiers in Chemistry
- Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors
- (2017) Juan Frau et al. MOLECULES
- Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity
- (2016) Luis Domingo et al. MOLECULES
- Why is the dual descriptor a more accurate local reactivity descriptor than Fukui functions?
- (2014) Jorge Ignacio Martínez-Araya JOURNAL OF MATHEMATICAL CHEMISTRY
- On the nature of Parr functions to predict the most reactive sites along organic polar reactions
- (2013) Eduardo Chamorro et al. CHEMICAL PHYSICS LETTERS
- “Head-to-Side-Chain” Cyclodepsipeptides of Marine Origin
- (2013) Marta Pelay-Gimeno et al. Marine Drugs
- Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals
- (2012) Leeor Kronik et al. Journal of Chemical Theory and Computation
- Revisiting caffeate’s capabilities as a complexation agent to silver cation in mining processes by means of the dual descriptor—a conceptual DFT approach
- (2012) Jorge Ignacio Martínez-Araya JOURNAL OF MOLECULAR MODELING
- Explaining reaction mechanisms using the dual descriptor: a complementary tool to the molecular electrostatic potential
- (2012) Jorge Ignacio Martínez-Araya JOURNAL OF MOLECULAR MODELING
- Curvature and Frontier Orbital Energies in Density Functional Theory
- (2012) Tamar Stein et al. Journal of Physical Chemistry Letters
- Drug discovery: Chemical beauty contest
- (2012) Paul Leeson NATURE
- Calculation of transition dipole moment in fluorescent proteins—towards efficient energy transfer
- (2012) Tamar Ansbacher et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Screened-exchange density functionals with broad accuracy for chemistry and solid-state physics
- (2012) Roberto Peverati et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions
- (2012) Luis R. Domingo et al. RSC Advances
- Communication: Tailoring the optical gap in light-harvesting molecules
- (2011) A. Karolewski et al. JOURNAL OF CHEMICAL PHYSICS
- Charge-Transfer-Like π→π* Excitations in Time-Dependent Density Functional Theory: A Conundrum and Its Solution
- (2011) Natalia Kuritz et al. Journal of Chemical Theory and Computation
- Mirabamides E−H, HIV-Inhibitory Depsipeptides from the SpongeStelletta clavosa
- (2011) Zhenyu Lu et al. JOURNAL OF NATURAL PRODUCTS
- The nucleophilicity N index in organic chemistry
- (2011) Luis R. Domingo et al. ORGANIC & BIOMOLECULAR CHEMISTRY
- Computational methods to predict the reactivity of nanoparticles through structure–property relationships
- (2010) Albert Poater et al. Expert Opinion on Drug Delivery
- Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles
- (2010) Tamar Stein et al. JOURNAL OF CHEMICAL PHYSICS
- Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method
- (2010) Tamar Stein et al. PHYSICAL REVIEW LETTERS
- Net Electrophilicity
- (2009) Pratim Kumar Chattaraj et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
- (2009) Aleksandr V. Marenich et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory
- (2009) Tamar Stein et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine
- (2008) Albert Poater et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
- (2008) Jeng-Da Chai et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search