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List of works by Anela Ivanova

A Look at Receptor-Ligand Pairs for Active-Targeting Drug Delivery from Crystallographic and Molecular Dynamics Perspectives

scientific article published on 05 July 2019

A theoretical study of model lipid monolayers

scientific article published on 01 March 2002

Absorption spectra of model single chains of conducting polyaniline

scientific article

An in-depth theoretical approach to the design of Cu(ii) hybrid-spin magnets

scientific article published on 21 August 2009

Benchmarking of Density Functionals for the Description of Optical Properties of Newly Synthesized π‐Conjugated TADF Blue Emitters

scientific article published in 2022

Boron–nitrogen- and boron-substituted anthracenes and -phenanthrenes as models for doped carbon-based materials

Characteristics of a Folate Receptor-α Anchored into a Multilipid Bilayer Obtained from Atomistic Molecular Dynamics Simulations

scientific article published on 18 December 2019

Characterization of the interaction forces in a drug carrier complex of doxorubicin with a drug-binding peptide

scientific article published on 22 November 2017

Dielectric Properties Tangential to the Interface in Model Insoluble Monolayers: Theoretical Assessment

scientific article published on 01 April 2008

Effect of solvation and intermolecular interactions on the structure and optical properties of PANI oligomers

Estimation of the Mutual Orientation and Intermolecular Interaction of C12Ex from Molecular Dynamics Simulations ⬇️

scientific article published on April 17, 2012

Fully Doped Oligomers of Emeraldine Salt: Polaronic versus Bipolaronic Configuration

scientific article published on 21 March 2011

Fully atomistic molecular-mechanical model of liquid alkane oils: Computational validation.

scientific article published on 19 February 2014

Hydrophilic Interactions between Organic and Water Molecules as Models for Monolayers at the Gas/Water Interface

article

Influence of the Level of Protonation on the Geometry and the Electronic Structure of Emeraldine Oligomers

Influence of the dimensionality of the periodic boundary conditions on the transport of a drug-peptide complex across model cell membranes

scientific article published on 08 January 2021

Lysosome-targeting pH indicator based on peri-fused naphthalene monoimide with superior stability for long term live cell imaging

scientific article published on 20 November 2020

Magnetostructural correlation for rational design of Mn(II) hybrid-spin complexes

scientific article

Molecular dynamics approach to water structure of H(II) mesophase of monoolein

scientific article published on February 2012

Molecular dynamics study of the electric and dielectric properties of model DPPC and dicaprin insoluble monolayers: size effect

scientific article published in June 2010

Molecular structure and pronounced conformational flexibility of doxorubicin in free and conjugated state within a drug-peptide compound.

scientific article

Revealing the Origin of the Specificity of Calcium and Sodium Cations Binding to Adsorption Monolayers of Two Anionic Surfactants

scientific article published on 04 November 2020

Self-Assembly of Escin Molecules at the Air-Water Interface as Studied by Molecular Dynamics

scientific article published on 27 July 2017

Solvent reorganization energies in A-DNA, B-DNA, and rhodamine 6G-DNA complexes from molecular dynamics simulations with a polarizable force field

scientific article published in April 2009

Structural aspects of lipid monolayers: computer simulation analyses

scientific article published in June 2010

Structure of Dense Adsorption Layers of Escin at the Air-Water Interface Studied by Molecular Dynamics Simulations

scientific article published on 17 September 2019

Structure of Rhodamine 6G−DNA Complexes from Molecular Dynamics Simulations

scientific article published on 26 September 2007

Study on the heteroatom influence in pyridine-based nitronyl nitroxide biradicals with phenylethynyl spacers on the molecular ground state

scientific article published in December 2003

Systematic study of the influence of base-step parameters on the electronic coupling between base-pair dimers: comparison of A-DNA and B-DNA forms

scientific article published on 10 July 2008

Systematic theoretical study of Li adsorption on stable BN- and B-substituted aromatic hydrocarbons

Testing the limits of model membrane simulations-bilayer composition and pressure scaling

scientific article published on 21 November 2017

Theoretical study of the influence of monomer excess on the structure and properties of polyaniline oligomers

scientific article published in February 2006

Three-Dimensional Pyrene-Fused N-Heteroacenes

scientific article published on 18 March 2019

Unit Cell Structure of Water-Filled Monoolein into Inverted Hexagonal (HII) Mesophase Modeled by Molecular Dynamics

scientific article published on 07 May 2014

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