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1

Quantitative approaches to computational vaccinology

Doytchinova, Irini A, Flower, Darren R

Journal:

Immunology & Cell Biology

Year:

2002

Language:

english

File:

PDF, 704 KB

english, 2002

2

Quantitative structure—plasma protein binding relationships of acidic drugs

Zvetanka Zhivkova, Irini Doytchinova

Journal:

Journal of Pharmaceutical Sciences

Year:

2012

Language:

english

File:

PDF, 244 KB

english, 2012

3

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

Irini A. Doytchinova, Darren R. Flower

Journal:

Year:

2007

Language:

english

File:

PDF, 317 KB

english, 2007

4

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

Doytchinova, Irini, Atanasova, Mariyana, Valkova, Iva, Stavrakov, Georgi, Philipova, Irena, Zhivkova, Zvetanka, Zheleva-Dimitrova, Dimitrina, Konstantinov, Spiro, Dimitrov, Ivan

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2018

Language:

english

File:

PDF, 1.59 MB

english, 2018

5

Thiazolyl-N-substituted amides: A group of effective anti-inflammatory agents with potential for local anesthetic properties. Synthesis, biological evaluation, and a QSAR approach

Dimitra Hadjipavlou-Litina, Athina Geronikaki, Remi Mgonzo, Irini Doytchinova

Journal:

Drug Development Research

Year:

1999

Language:

english

File:

PDF, 177 KB

english, 1999

6

CoMFA Study on Adenosine A2A Receptor Agonists

Irini Doytchinova, Iva Valkova, Roumiana Natcheva

Journal:

Molecular Informatics

Year:

2001

Language:

english

File:

PDF, 205 KB

english, 2001

7

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

Adriana Bakalova, Hristo Varbanov, Rossen Buyukliev, Georgi Momekov, Darvin Ivanov, Irini Doytchinova

Journal:

Archiv der Pharmazie

Year:

2011

Language:

english

File:

PDF, 226 KB

english, 2011

8

JenPep: A Novel Computational Information Resource for Immunobiology and Vaccinology.

Helen McSparron, Martin J. Blythe, Christianna Zygouri, Irini A. Doytchinova, Darren R. Flower

Journal:

Year:

2003

File:

PDF, 54 KB

2003

9

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

Zvetanka Zhivkova, Irini Doytchinova

Journal:

Journal of Pharmaceutical Sciences

Year:

2012

Language:

english

File:

PDF, 309 KB

english, 2012

10

MHC Class II Binding Prediction by Molecular Docking

M. Atanasova, I. Dimitrov, D. R. Flower, I. Doytchinova

Journal:

Molecular Informatics

Year:

2011

Language:

english

File:

PDF, 824 KB

english, 2011

11

Synthesis and antiproliferative activity of benzo[d]isothiazole hydrazones

Paola Vicini, Matteo Incerti, Irini A. Doytchinova, Paolo La Colla, Bernadetta Busonera, Roberta Loddo

Journal:

European Journal of Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 386 KB

english, 2006

12

Peptide binding to the HLA-DRB1 supertype: A proteochemometrics analysis

Ivan Dimitrov, Panayot Garnev, Darren R. Flower, Irini Doytchinova

Journal:

European Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 789 KB

english, 2010

13

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

Anjani Solankee, Kishor Kapadia, Ana Ćirić, Marina Soković, Irini Doytchinova, Athina Geronikaki

Journal:

European Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 215 KB

english, 2010

14

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

Paola Vicini, Franca Zani, Pietro Cozzini, Irini Doytchinova

Journal:

European Journal of Medicinal Chemistry

Year:

2002

Language:

english

File:

PDF, 250 KB

english, 2002

15

Reversed-phase high-performance liquid chromatography for evaluating the distribution of pharmaceutical substances in suppository base–phosphate buffer system

Burya Dimitrova, Irini Doytchinova, Margarita Zlatkova

Journal:

Journal of Pharmaceutical and Biomedical Analysis

Year:

2000

Language:

english

File:

PDF, 127 KB

english, 2000

16

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

Pingping Guan, Irini A Doytchinova, Darren R Flower

Journal:

Bioorganic & Medicinal Chemistry

Year:

2003

Language:

english

File:

PDF, 305 KB

english, 2003

17

Aminothiazole derivatives with antidegenerative activity on cartilage

Anna Maria Panico, Athina Geronikaki, Remi Mgonzo, Venera Cardile, Barbara Gentile, Irini Doytchinova

Journal:

Bioorganic & Medicinal Chemistry

Year:

2003

Language:

english

File:

PDF, 433 KB

english, 2003

18

Quantitative online prediction of peptide binding to the major histocompatibility complex

Channa K. Hattotuwagama, Pingping Guan, Irini A. Doytchinova, Christianna Zygouri, Darren R. Flower

Journal:

Journal of Molecular Graphics and Modelling

Year:

2004

Language:

english

File:

PDF, 164 KB

english, 2004

19

AntiJen: a quantitative immunology database integrating functional, thermodynamic, kinetic, biophysical, and cellular data

Christopher P Toseland, Debra J Clayton, Helen McSparron, Shelley L Hemsley, Martin J Blythe, Kelly Paine, Irini A Doytchinova, Pingping Guan, Channa K Hattotuwagama, Darren R Flower

Journal:

Immunome Research

Year:

2005

Language:

english

File:

PDF, 807 KB

english, 2005

20

Computer aided selection of candidate vaccine antigens

Darren R Flower, Isabel K Macdonald, Kamna Ramakrishnan, Matthew N Davies, Irini A Doytchinova

Journal:

Immunome Research

Year:

2010

Language:

english

File:

PDF, 1.62 MB

english, 2010

21

HLA-DP2 binding prediction by molecular dynamics simulations

Irini Doytchinova, Peicho Petkov, Ivan Dimitrov, Mariyana Atanasova, Darren R. Flower

Journal:

Protein Science

Year:

2011

Language:

english

File:

PDF, 1.16 MB

english, 2011

22

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

Irini A. Doytchinova, Darren R. Flower

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2002

Language:

english

File:

PDF, 963 KB

english, 2002

23

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

Ludmila Tankova, Krassimira Yoncheva, Daniel Kovatchki, I. Doytchinova

Journal:

International Journal of Colorectal Disease

Year:

2009

Language:

english

File:

PDF, 96 KB

english, 2009

24

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

Irini A. Doytchinova, Valerie Walshe, Persephone Borrow, Darren R. Flower

Journal:

Journal of Computer-Aided Molecular Design

Year:

2005

Language:

english

File:

PDF, 269 KB

english, 2005

25

2D and 3D QSAR Analysis of Some Valproic Acid Metabolites and Analogues as Anticonvulsant Agents

Tatiana Netzeva, Irini Doytchinova, Roumiana Natcheva

Journal:

Pharmaceutical Research

Year:

2000

Language:

english

File:

PDF, 283 KB

english, 2000

26

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

Irini Doytchinova

Journal:

Journal of Computer-Aided Molecular Design

Year:

2001

Language:

english

File:

PDF, 156 KB

english, 2001

27

A Comparative Molecular Similarity Index Analysis (CoMSIA) study identifies an HLA-A2 binding supermotif

Irini A. Doytchinova, Darren R. Flower

Journal:

Journal of Computer-Aided Molecular Design

Year:

2002

Language:

english

File:

PDF, 299 KB

english, 2002

28

Synthesis, 5-HT1Aand 5-HT2Areceptor affinity and QSAR study of 1-benzhydryl-piperazine derivatives with xanthine moiety at N4

Iva Valkova, Alexander Zlatkov, Krystyna Nędza, Irini Doytchinova

Journal:

Medicinal Chemistry Research

Year:

2012

Language:

english

File:

PDF, 1.47 MB

english, 2012

29

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

Georg Heun, Nikolai Lambov, Alexander Zlatkov, Plamen Peikov, Irini Doytchinova, Krasimira Gesheva

Journal:

Journal of Controlled Release

Year:

1999

Language:

english

File:

PDF, 111 KB

english, 1999

30

EpiJen: a server for multistep T cell epitope prediction

Irini A Doytchinova, Pingping Guan, Darren R Flower

Journal:

BMC Bioinformatics

Year:

2006

Language:

english

File:

PDF, 453 KB

english, 2006

31

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

Irini A Doytchinova, Darren R Flower

Journal:

BMC Bioinformatics

Year:

2007

Language:

english

File:

PDF, 267 KB

english, 2007

32

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

Atanas Patronov, Ivan Dimitrov, Darren R Flower, Irini Doytchinova

Journal:

BMC Structural Biology

Year:

2011

Language:

english

File:

PDF, 702 KB

english, 2011

33

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

Irini A. Doytchinova, Darren R. Flower

Journal:

Molecular Immunology

Year:

2006

Language:

english

File:

PDF, 270 KB

english, 2006

34

Quantitative structure–activity relationships and the prediction of MHC supermotifs

Irini A Doytchinova, Pingping Guan, Darren R Flower

Journal:

Year:

2004

Language:

english

File:

PDF, 533 KB

english, 2004

35

Percentage of core lengths involved with prostate cancer: does it add to the percentage of positive prostate biopsies in predicting postoperative prostate-specific antigen outcome for men with intermediate-risk prostate cancer?

Patrick W Linson, Andrew K Lee, Tatiana Doytchinova, Ming-Hui Chen, Michael H Weinstein, Jerome P Richie, Anthony V D’Amico

Journal:

Year:

2002

Language:

english

File:

PDF, 111 KB

english, 2002

36

Can the core length involved with prostate cancer identify clinically insignificant disease in low risk patients diagnosed on the basis of a single positive core?

Andrew K. Lee, Tatiana Doytchinova, Ming-Hui Chen, Andrew A. Renshaw, Michael Weinstein, Jerome P. Richie, Anthony V. D’Amico

Journal:

Urologic Oncology: Seminars and Original Investigations

Year:

2003

Language:

english

File:

PDF, 65 KB

english, 2003

37

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

Patronov, Atanas, Dimitrov, Ivan, Flower, Darren R, Doytchinova, Irini

Journal:

BMC Structural Biology

Year:

2012

Language:

english

File:

PDF, 708 KB

english, 2012

38

Analysis of Peptide−Protein Binding Using Amino Acid Descriptors: Prediction and Experimental Verification for Human Histocompatibility Complex HLA-A*0201

Guan, Pingping, Doytchinova, Irini A., Walshe, Valerie A., Borrow, Persephone, Flower, Darren R.

Journal:

Journal of Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 139 KB

english, 2005

39

Predicting Class I Major Histocompatibility Complex (MHC) Binders Using Multivariate Statistics: Comparison of Discriminant Analysis and Multiple Linear Regression

Doytchinova, Irini A., Flower, Darren R.

Journal:

Journal of Chemical Information and Modeling

Year:

2007

Language:

english

File:

PDF, 44 KB

english, 2007

40

Additive Method for the Prediction of Protein−Peptide Binding Affinity. Application to the MHC Class I Molecule HLA-A*0201

Doytchinova, Irini A., Blythe, Martin J., Flower, Darren R.

Journal:

Journal of Proteome Research

Year:

2002

Language:

english

File:

PDF, 159 KB

english, 2002

41

In Silico Prediction of Peptide Binding Affinity to Class I Mouse Major Histocompatibility Complexes: A Comparative Molecular Similarity Index Analysis (CoMSIA) Study

Hattotuwagama, Channa K., Doytchinova, Irini A., Flower, Darren R.

Journal:

Journal of Chemical Information and Modeling

Year:

2005

Language:

english

File:

PDF, 629 KB

english, 2005

42

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

Hattotuwagama, Channa K., Toseland, Christopher P., Guan, Pingping, Taylor, Debra J., Hemsley, Shelley L., Doytchinova, Irini A., Flower, Darren R.

Journal:

Journal of Chemical Information and Modeling

Year:

2006

Language:

english

File:

PDF, 332 KB

english, 2006

43

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

Doytchinova, Irini A., Flower, Darren R.

Journal:

Journal of Medicinal Chemistry

Year:

2001

Language:

english

File:

PDF, 319 KB

english, 2001

44

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

Doytchinova, Irini A., Flower, Darren R.

Journal:

Journal of Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 428 KB

english, 2006

45

JenPep: A Novel Computational Information Resource for Immunobiology and Vaccinology

McSparron, H., Blythe, M.J., Zygouri, C., Doytchinova, I.A., Flower, D.R.

Journal:

Journal of Chemical Information and Modeling

Year:

2003

Language:

english

File:

PDF, 209 KB

english, 2003

46

AllerTOP - a server forin silicoprediction of allergens

Ivan Dimitrov, Darren R Flower, Irini Doytchinova

Journal:

BMC Bioinformatics

Year:

2013

Language:

english

File:

PDF, 215 KB

english, 2013

47

MHCPred 2.0

Pingping Guan, Channa K. Hattotuwagama, Irini A. Doytchinova…

Journal:

Applied Bioinformatics

Year:

2006

Language:

english

File:

PDF, 667 KB

english, 2006

48

Quantitative Structure – Clearance Relationships of Acidic Drugs

Zhivkova, Zvetanka, Doytchinova, Irini

Journal:

Molecular Pharmaceutics

Year:

2013

Language:

english

File:

PDF, 815 KB

english, 2013

49

AllergenFP: allergenicity prediction by descriptor fingerprints

Dimitrov, I., Naneva, L., Doytchinova, I., Bangov, I.

Journal:

Year:

2014

Language:

english

File:

PDF, 253 KB

english, 2014

50

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

Atanasova, M., Patronov, A., Dimitrov, I., Flower, D. R., Doytchinova, I.

Journal:

Protein Engineering Design and Selection

Year:

2013

Language:

english

File:

PDF, 339 KB

english, 2013