List of works - Irini Doytchinova

A Cohesive and Integrated Platform for Immunogenicity Prediction

scientific article published in January 2016

A comparative molecular similarity index analysis (CoMSIA) study identifies an HLA-A2 binding supermotif

scientific article published on 01 August 2002

A comparative molecular similarity indices (CoMSIA) study of peptide binding to the HLA-A3 superfamily

scientific article published in May 2003

Additive method for the prediction of protein-peptide binding affinity. Application to the MHC class I molecule HLA-A*0201.

scientific article published in May 2002

Adenosine A2A receptor agonists: CoMFA-based selection of the most predictive conformation

scientific article

AllerTOP v.2--a server for in silico prediction of allergens.

scientific article published on 31 May 2014

AllerTOP--a server for in silico prediction of allergens

scientific article

AllergenFP: allergenicity prediction by descriptor fingerprints.

scientific article

Aminothiazole derivatives with antidegenerative activity on cartilage.

scientific article

Analysis of peptide-protein binding using amino acid descriptors: prediction and experimental verification for human histocompatibility complex HLA-A0201.

scientific article published in November 2005

Antimycobacterial activity of chiral aminoalcohols with camphane scaffold.

scientific article published on 4 May 2014

Associations between Milk and Egg Allergens and the HLA-DRB1/DQ Polymorphism: A Bioinformatics Approach.

scientific article published on 9 March 2016

Bacterial Immunogenicity Prediction by Machine Learning Methods

scientific article published on 30 November 2020

Biodegradable cross-linked prodrug of the bronchial dilator Vephylline®. 2. Kinetics and quantum chemical studies on the release mechanism

scientific article published on 01 March 1999

Class I T-cell epitope prediction: improvements using a combination of proteasome cleavage, TAP affinity, and MHC binding

scientific article published on 9 March 2006

CoMFA-based comparison of two models of binding site on adenosine A1 receptor.

scientific article

Computer aided selection of candidate vaccine antigens

scientific article

Coupling in silico and in vitro analysis of peptide-MHC binding: a bioinformatic approach enabling prediction of superbinding peptides and anchorless epitopes.

scientific article published in June 2004

Curcumin Inhibits the Primary Nucleation of Amyloid-Beta Peptide: A Molecular Dynamics Study

scientific article published on 15 September 2020

Design of novel camphane-based derivatives with antimycobacterial activity.

scientific article published on 30 April 2014

Design, Synthesis, and Antimycobacterial Activity of Novel Theophylline-7-Acetic Acid Derivatives With Amino Acid Moieties.

scientific article published on 26 October 2015

Different approaches for determination of the attachment degree of polyethylene glycols to poly(anhydride) nanoparticles

scientific article published on 01 June 2010

Docking-based Design of Galantamine Derivatives with Dual-site Binding to Acetylcholinesterase

scientific article published on 15 June 2016

Docking-based design and synthesis of galantamine-camphane hybrids as inhibitors of acetylcholinesterase.

scientific article published on 4 April 2017

Empirical, AI, and QSAR Approaches to Peptide-MHC Binding Prediction

EpiDOCK: a molecular docking-based tool for MHC class II binding prediction.

scientific article published on 9 May 2013

EpiJen: a server for multistep T cell epitope prediction

scientific article published on 13 March 2006

EpiTOP--a proteochemometric tool for MHC class II binding prediction.

scientific article published on 23 June 2010

Galantamine Derivatives as Acetylcholinesterase Inhibitors: Docking, Design, Synthesis, and Inhibitory Activity

Galantamine derivatives with indole moiety: Docking, design, synthesis and acetylcholinesterase inhibitory activity

scholarly article by Mariyana Atanasova published in September 2015

Galantamine-Curcumin Hybrids as Dual-Site Binding Acetylcholinesterase Inhibitors

scientific article published on 23 July 2020

HLA-DP2 binding prediction by molecular dynamics simulations ⬇️

scientific article published on September 27, 2011

Histidine Hydrogen Bonding in MHC at pH 5 and pH 7 Modeled by Molecular Docking and Molecular Dynamics Simulations

article

Hydrazones of 1,2-benzisothiazole hydrazides: synthesis, antimicrobial activity and QSAR investigations.

scientific article

Identification of Candidate Vaccine Antigens In Silico

Identifying Major Histocompatibility Complex Supertypes

Identifying candidate subunit vaccines using an alignment-independent method based on principal amino acid properties

scientific article published on 28 September 2006

In Silico Identification of Supertypes for Class II MHCs

scientific article published on 01 June 2005

In Silico QSAR-Based Predictions of Class I and Class II MHC Epitopes

In silico prediction of cancer immunogens: current state of the art.

scientific article

Integrating in silico and in vitro analysis of peptide binding affinity to HLA-Cw*0102: a bioinformatic approach to the prediction of new epitopes

scientific article

JenPep: a database of quantitative functional peptide data for immunology

scientific article

JenPep: a novel computational information resource for immunobiology and vaccinology.

scientific article

MHC Class II Binding Prediction by Molecular Docking

scientific article

MHC Class II Binding Prediction-A Little Help from a Friend.

scientific article

MHCPred 2.0: an updated quantitative T-cell epitope prediction server

scientific article published in January 2006

MHCPred: A server for quantitative prediction of peptide-MHC binding.

scientific article

Modeling the Peptide−T Cell Receptor Interaction by the Comparative Molecular Similarity Indices Analysis−Soft Independent Modeling of Class Analogy Technique

article

Molecular Docking Study on Galantamine Derivatives as Cholinesterase Inhibitors.

scientific article

New horizons in mouse immunoinformatics: reliable in silico prediction of mouse class I histocompatibility major complex peptide binding affinity

scientific article published on 16 September 2004

Novel camphane-based anti-tuberculosis agents with nanomolar activity.

scientific article published on 17 October 2013

Novel hits for acetylcholinesterase inhibition derived by docking-based screening on ZINC database

scientific article published in December 2018

Peptide Binding Prediction to Five Most Frequent HLA-DQ Proteins - a Proteochemometric Approach.

scientific article published on 27 May 2015

Peptide binding prediction for the human class II MHC allele HLA-DP2: a molecular docking approach

scientific article

Peptide binding to HLA-DP proteins at pH 5.0 and pH 7.0: a quantitative molecular docking study

scientific article

Peptide binding to the HLA-DRB1 supertype: a proteochemometrics analysis.

scientific article published on 13 October 2009

Physicochemical explanation of peptide binding to HLA-A*0201 major histocompatibility complex: A three-dimensional quantitative structure-activity relationship study

scientific article published on 01 August 2002

Platinum Complexes with 5‐Methyl‐5(4‐pyridyl)hydantoin and Its 3‐Methyl Derivatives: Synthesis and Cytotoxic Activity – Quantitative Structure‐Activity Relationships ⬇️

scientific article published on December 22, 2010

Predicting class I major histocompatibility complex (MHC) binders using multivariate statistics: comparison of discriminant analysis and multiple linear regression

scientific article published in January 2007

Prediction of steady-state volume of distribution of acidic drugs by quantitative structure-pharmacokinetics relationships

scientific article published on 13 December 2011

Preparation and Evaluation of Isosorbide Mononitrate Hydrogels for Topical Fissure Treatment

scientific article published on 01 September 2012

Proteochemometrics for the Prediction of Binding to the MHC Proteins

Proteochemometrics-Based Prediction of Peptide Binding to HLA-DP Proteins

scientific article published on 18 July 2017

Proteomics in Vaccinology and Immunobiology: An Informatics Perspective of the Immunone

scientific article

QSAR and the Prediction of T-Cell Epitopes

QSAR studies of 8-substituted xanthines as adenosine receptor antagonists

Quantitative approaches to computational vaccinology.

scientific article

Quantitative online prediction of peptide binding to the major histocompatibility complex

scientific article published on January 2004

Quantitative prediction of peptide binding to HLA-DP1 protein.

scientific article published in May 2013

Quantitative structure--clearance relationships of acidic drugs.

scientific article published on 3 September 2013

Quantitative structure—plasma protein binding relationships of acidic drugs ⬇️

scientific article published on September 7, 2012

Substrate – Inositol Transporter Interactions: Molecular Docking Study

Synthesis and antiproliferative activity of benzo[d]isothiazole hydrazones.

scientific article published on 15 March 2006

Synthesis of some new S-triazine based chalcones and their derivatives as potent antimicrobial agents.

scientific article published on 30 October 2009

Synthetic piperine amide analogs with antimycobacterial activity

scientific article published on 11 November 2017

T-cell epitope vaccine design by immunoinformatics

scientific article published on 8 January 2013

The HLA-A2-supermotif: a QSAR definition

scientific article published in August 2003

Topical anal fissure treatment: placebo-controlled study of mononitrate and trinitrate therapies.

scientific article published on 10 January 2009

Toward prediction of class II mouse major histocompatibility complex peptide binding affinity: in silico bioinformatic evaluation using partial least squares, a robust multivariate statistical technique

scientific article published in May 2006

Toward the Quantitative Prediction of T-Cell Epitopes: CoMFA and CoMSIA Studies of Peptides with Affinity for the Class I MHC Molecule HLA-A*0201

scientific article published on 01 October 2001

Towards the chemometric dissection of peptide--HLA-A*0201 binding affinity: comparison of local and global QSAR models.

scientific article published in March 2005

Towards the in silico identification of class II restricted T-cell epitopes: a partial least squares iterative self-consistent algorithm for affinity prediction

scientific article published in November 2003

Transporter Associated with Antigen Processing Preselection of Peptides Binding to the MHC: A Bioinformatic Evaluation

scientific article published on 01 December 2004

Using databases and data mining in vaccinology

scientific article

VaxiJen: a server for prediction of protective antigens, tumour antigens and subunit vaccines

scientific article

List of works by Irini Doytchinova

A Cohesive and Integrated Platform for Immunogenicity Prediction

A comparative molecular similarity index analysis (CoMSIA) study identifies an HLA-A2 binding supermotif

A comparative molecular similarity indices (CoMSIA) study of peptide binding to the HLA-A3 superfamily

Additive method for the prediction of protein-peptide binding affinity. Application to the MHC class I molecule HLA-A*0201.

Adenosine A2A receptor agonists: CoMFA-based selection of the most predictive conformation

AllerTOP v.2--a server for in silico prediction of allergens.

AllerTOP--a server for in silico prediction of allergens

AllergenFP: allergenicity prediction by descriptor fingerprints.

Aminothiazole derivatives with antidegenerative activity on cartilage.

Analysis of peptide-protein binding using amino acid descriptors: prediction and experimental verification for human histocompatibility complex HLA-A0201.

Antimycobacterial activity of chiral aminoalcohols with camphane scaffold.

Associations between Milk and Egg Allergens and the HLA-DRB1/DQ Polymorphism: A Bioinformatics Approach.

Bacterial Immunogenicity Prediction by Machine Learning Methods

Biodegradable cross-linked prodrug of the bronchial dilator Vephylline®. 2. Kinetics and quantum chemical studies on the release mechanism

Class I T-cell epitope prediction: improvements using a combination of proteasome cleavage, TAP affinity, and MHC binding

CoMFA-based comparison of two models of binding site on adenosine A1 receptor.

Computer aided selection of candidate vaccine antigens

Coupling in silico and in vitro analysis of peptide-MHC binding: a bioinformatic approach enabling prediction of superbinding peptides and anchorless epitopes.

Curcumin Inhibits the Primary Nucleation of Amyloid-Beta Peptide: A Molecular Dynamics Study

Design of novel camphane-based derivatives with antimycobacterial activity.

Design, Synthesis, and Antimycobacterial Activity of Novel Theophylline-7-Acetic Acid Derivatives With Amino Acid Moieties.

Different approaches for determination of the attachment degree of polyethylene glycols to poly(anhydride) nanoparticles

Docking-based Design of Galantamine Derivatives with Dual-site Binding to Acetylcholinesterase

Docking-based design and synthesis of galantamine-camphane hybrids as inhibitors of acetylcholinesterase.

Empirical, AI, and QSAR Approaches to Peptide-MHC Binding Prediction

EpiDOCK: a molecular docking-based tool for MHC class II binding prediction.

EpiJen: a server for multistep T cell epitope prediction

EpiTOP--a proteochemometric tool for MHC class II binding prediction.

Galantamine Derivatives as Acetylcholinesterase Inhibitors: Docking, Design, Synthesis, and Inhibitory Activity

Galantamine derivatives with indole moiety: Docking, design, synthesis and acetylcholinesterase inhibitory activity

Galantamine-Curcumin Hybrids as Dual-Site Binding Acetylcholinesterase Inhibitors

HLA-DP2 binding prediction by molecular dynamics simulations ⬇️

Histidine Hydrogen Bonding in MHC at pH 5 and pH 7 Modeled by Molecular Docking and Molecular Dynamics Simulations

Hydrazones of 1,2-benzisothiazole hydrazides: synthesis, antimicrobial activity and QSAR investigations.

Identification of Candidate Vaccine Antigens In Silico

Identifying Major Histocompatibility Complex Supertypes

Identifying candidate subunit vaccines using an alignment-independent method based on principal amino acid properties

In Silico Identification of Supertypes for Class II MHCs

In Silico QSAR-Based Predictions of Class I and Class II MHC Epitopes

In silico prediction of cancer immunogens: current state of the art.

Integrating in silico and in vitro analysis of peptide binding affinity to HLA-Cw*0102: a bioinformatic approach to the prediction of new epitopes

JenPep: a database of quantitative functional peptide data for immunology

JenPep: a novel computational information resource for immunobiology and vaccinology.

MHC Class II Binding Prediction by Molecular Docking

MHC Class II Binding Prediction-A Little Help from a Friend.

MHCPred 2.0: an updated quantitative T-cell epitope prediction server

MHCPred: A server for quantitative prediction of peptide-MHC binding.

Modeling the Peptide−T Cell Receptor Interaction by the Comparative Molecular Similarity Indices Analysis−Soft Independent Modeling of Class Analogy Technique

Molecular Docking Study on Galantamine Derivatives as Cholinesterase Inhibitors.

New horizons in mouse immunoinformatics: reliable in silico prediction of mouse class I histocompatibility major complex peptide binding affinity

Novel camphane-based anti-tuberculosis agents with nanomolar activity.

Novel hits for acetylcholinesterase inhibition derived by docking-based screening on ZINC database

Peptide Binding Prediction to Five Most Frequent HLA-DQ Proteins - a Proteochemometric Approach.

Peptide binding prediction for the human class II MHC allele HLA-DP2: a molecular docking approach

Peptide binding to HLA-DP proteins at pH 5.0 and pH 7.0: a quantitative molecular docking study

Peptide binding to the HLA-DRB1 supertype: a proteochemometrics analysis.

Physicochemical explanation of peptide binding to HLA-A*0201 major histocompatibility complex: A three-dimensional quantitative structure-activity relationship study

Platinum Complexes with 5‐Methyl‐5(4‐pyridyl)hydantoin and Its 3‐Methyl Derivatives: Synthesis and Cytotoxic Activity – Quantitative Structure‐Activity Relationships ⬇️

Predicting class I major histocompatibility complex (MHC) binders using multivariate statistics: comparison of discriminant analysis and multiple linear regression

Prediction of steady-state volume of distribution of acidic drugs by quantitative structure-pharmacokinetics relationships

Preparation and Evaluation of Isosorbide Mononitrate Hydrogels for Topical Fissure Treatment

Proteochemometrics for the Prediction of Binding to the MHC Proteins

Proteochemometrics-Based Prediction of Peptide Binding to HLA-DP Proteins

Proteomics in Vaccinology and Immunobiology: An Informatics Perspective of the Immunone

QSAR and the Prediction of T-Cell Epitopes

QSAR studies of 8-substituted xanthines as adenosine receptor antagonists

Quantitative approaches to computational vaccinology.

Quantitative online prediction of peptide binding to the major histocompatibility complex

Quantitative prediction of peptide binding to HLA-DP1 protein.

Quantitative structure--clearance relationships of acidic drugs.

Quantitative structure—plasma protein binding relationships of acidic drugs ⬇️

Substrate – Inositol Transporter Interactions: Molecular Docking Study

Synthesis and antiproliferative activity of benzo[d]isothiazole hydrazones.

Synthesis of some new S-triazine based chalcones and their derivatives as potent antimicrobial agents.

Synthetic piperine amide analogs with antimycobacterial activity

T-cell epitope vaccine design by immunoinformatics

The HLA-A2-supermotif: a QSAR definition

Topical anal fissure treatment: placebo-controlled study of mononitrate and trinitrate therapies.

Toward prediction of class II mouse major histocompatibility complex peptide binding affinity: in silico bioinformatic evaluation using partial least squares, a robust multivariate statistical technique