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1

A comprehensive map of molecular drug targets

Santos, Rita, Ursu, Oleg, Gaulton, Anna, Bento, A. Patrícia, Donadi, Ramesh S., Bologa, Cristian G., Karlsson, Anneli, Al-Lazikani, Bissan, Hersey, Anne, Oprea, Tudor I., Overington, John P.

Journal:

Nature Reviews Drug Discovery

Year:

2016

Language:

english

File:

PDF, 1.80 MB

english, 2016

2

Bioactivity-guided mapping and navigation of chemical space

Renner, Steffen, van Otterlo, Willem A L, Dominguez Seoane, Marta, Möcklinghoff, Sabine, Hofmann, Bettina, Wetzel, Stefan, Schuffenhauer, Ansgar, Ertl, Peter, Oprea, Tudor I, Steinhilber, Dieter

Journal:

Nature Chemical Biology

Year:

2009

Language:

english

File:

PDF, 673 KB

english, 2009

3

Leaving us with fond memories, smiles, SMILES and, alas, tears: a tribute to David Weininger, 1952–2016

Gasteiger, Johann, Martin, Yvonne, Nicholls, Anthony, Oprea, Tudor I., Stouch, Terry

Journal:

Journal of Computer-Aided Molecular Design

Year:

2018

Language:

english

File:

PDF, 760 KB

english, 2018

4

Novel drug targets in 2018

Ursu, Oleg, Glick, Meir, Oprea, Tudor

Journal:

Nature Reviews Drug Discovery

Year:

2019

Language:

english

File:

PDF, 634 KB

english, 2019

5

Will Artificial Intelligence for Drug Discovery Impact Clinical Pharmacology?

Zhavoronkov, Alex, Vanhaelen, Quentin, Oprea, Tudor I.

Journal:

Clinical Pharmacology & Therapeutics

Year:

2020

Language:

english

File:

PDF, 9.50 MB

english, 2020

6

The Design of Leadlike Combinatorial Libraries

Simon J. Teague, Andrew M. Davis, Paul D. Leeson, Tudor Oprea

Journal:

Angewandte Chemie International Edition

Year:

1999

Language:

english

File:

PDF, 167 KB

english, 1999

7

Flow cytometry for high-throughput, high-content screening

Bruce S Edwards, Tudor Oprea, Eric R Prossnitz, Larry A Sklar

Journal:

Current Opinion in Chemical Biology

Year:

2004

Language:

english

File:

PDF, 291 KB

english, 2004

8

Chemical space navigation in lead discovery

Journal:

Current Opinion in Chemical Biology

Year:

2002

Language:

english

File:

PDF, 77 KB

english, 2002

9

Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors

Tudor I. Oprea, Angel E. García

Journal:

Journal of Computer-Aided Molecular Design

Year:

1996

Language:

english

File:

PDF, 3.15 MB

english, 1996

10

Interactive exploration of chemical space with Scaffold Hunter

Wetzel, Stefan, Klein, Karsten, Renner, Steffen, Rauh, Daniel, Oprea, Tudor I, Mutzel, Petra, Waldmann, Herbert

Journal:

Nature Chemical Biology

Year:

2009

Language:

english

File:

PDF, 338 KB

english, 2009

11

BDDCS Class Prediction for New Molecular Entities

Broccatelli, Fabio, Cruciani, Gabriele, Benet, Leslie Z., Oprea, Tudor I.

Journal:

Molecular Pharmaceutics

Year:

2012

Language:

english

File:

PDF, 451 KB

english, 2012

12

A non-peptide receptor inhibitor with selectivity for one of the neutrophil formyl peptide receptors, FPR 1

Hülya Çevik-Aras, Christina Kalderén, Annika Jenmalm Jensen, Tudor Oprea, Claes Dahlgren, Huamei Forsman

Journal:

Biochemical Pharmacology

Year:

2012

Language:

english

File:

PDF, 614 KB

english, 2012

13

The significance of acid/base properties in drug discovery

Manallack, David T., Prankerd, Richard J., Yuriev, Elizabeth, Oprea, Tudor I., Chalmers, David K.

Journal:

Chemical Society Reviews

Year:

2013

Language:

english

File:

PDF, 2.46 MB

english, 2013

14

Model-Free Drug-Likeness from Fragments

Ursu, Oleg, Oprea, Tudor I.

Journal:

Journal of Chemical Information and Modeling

Year:

2010

Language:

english

File:

PDF, 373 KB

english, 2010

15

Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules

Waller, Chris L., Oprea, Tudor I., Giolitti, Alessandro, Marshall, Garland R.

Journal:

Journal of Medicinal Chemistry

Year:

1993

Language:

english

File:

PDF, 2.88 MB

english, 1993

16

Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)

Martin, Yvonne C., Abagyan, Ruben, Ferenczy, György G., Gillet, Val J., Oprea, Tudor I., Ulander, Johan, Winkler, David, Zefirov, Nicolai S.

Journal:

Pure & Applied Chemistry

Year:

2016

Language:

english

File:

PDF, 615 KB

english, 2016

17

MAINTENANCE OF BIODIVERSITY OF APRICOT TREE PHENOTYPES IN ROMANIA

Balan, V., Oprea, M., Drosu, S., Chireceanu, C., Tudor, V., Petrisor, C.

Journal:

Acta Horticulturae

Year:

2006

Language:

english

File:

PDF, 335 KB

english, 2006

18

MANAGEMENT OF APRICOT TREE PLANTATIONS ON THE BASIS OF ´INTEGRATED FRUIT PRODUCTION´ CONCEPT

Balan, V., Roman, M., Gherghe, P., Petrisor, C., Lazar, V., Miu, F., Tudor, V., Oprea, M., Drosu, S., Chireceanu, C., Stefan, S., Gavriluta, I., Nitu, A.

Journal:

Acta Horticulturae

Year:

2006

Language:

english

File:

PDF, 323 KB

english, 2006

19

Far away from the lamppost

Oprea, Tudor I., Jan, Lily, Johnson, Gary L., Roth, Bryan L., Ma’ayan, Avi, Schürer, Stephan, Shoichet, Brian K., Sklar, Larry A., McManus, Michael T.

Journal:

Year:

2018

Language:

english

File:

PDF, 280 KB

english, 2018

20

PRESENT AND FUTURE IN APRICOT BREEDING FOR FRUIT QUALITY AND DISEASE RESISTANCE IN ROMANIA

Balan, V., Ivascu, A., Toma, S., Tudor, V., Oprea, M.

Journal:

Acta Horticulturae

Year:

2000

Language:

english

File:

PDF, 19 KB

english, 2000

21

Novel drug targets in 2018

Ursu, Oleg, Glick, Meir, Oprea, Tudor

Journal:

Nature Reviews Drug Discovery

Year:

2019

File:

PDF, 634 KB

2019

22

Design kombinatorischer Leitstruktur-Bibliotheken

Simon J. Teague, Andrew M. Davis, Paul D. Leeson, Tudor Oprea

Journal:

Angewandte Chemie

Year:

1999

Language:

german

File:

PDF, 157 KB

german, 1999

23

A Scaffold-Tree-Merging Strategy for Prospective Bioactivity Annotation of γ-Pyrones

Stefan Wetzel, Wolfram Wilk, Samy Chammaa, Bianca Sperl, Anke G. Roth, Aybike Yektaoglu, Steffen Renner, Thorsten Berg, Christoph Arenz, Athanassios Giannis, Tudor I. Oprea, Daniel Rauh, Markus Kaiser

Journal:

Angewandte Chemie

Year:

2010

Language:

english

File:

PDF, 438 KB

english, 2010

24

A Scaffold-Tree-Merging Strategy for Prospective Bioactivity Annotation of γ-Pyrones

Stefan Wetzel, Wolfram Wilk, Samy Chammaa, Bianca Sperl, Anke G. Roth, Aybike Yektaoglu, Steffen Renner, Thorsten Berg, Christoph Arenz, Athanassios Giannis, Tudor I. Oprea, Daniel Rauh, Markus Kaiser

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 457 KB

english, 2010

25

ChemInform Abstract: Is There a Difference Between Leads and Drugs? A Historical Perspective.

Tudor I. Oprea, Andrew M. Davis, Simon J. Teague, Paul D. Leeson

Journal:

Year:

2001

File:

PDF, 25 KB

2001

26

MTD-PLS: A PLS-Based Variant of the MTD Method. Part 2. Mapping Ligand—Receptor Interactions. Enzymatic Acetic Esters Hydrolysis.

Ludovic Kurunczi, Marius Olah, Tudor I. Oprea, Cristian Bologa, Zeno Simon

Journal:

Year:

2002

File:

PDF, 25 KB

2002

27

Rapid Evaluation of Synthetic and Molecular Complexity for in Silico Chemistry.

Tharun Kumar Allu, Tudor I. Oprea

Journal:

Year:

2005

File:

PDF, 8 KB

2005

28

MTD—PLS: A PLS Variant of the Minimal Topologic Difference Method. Part 3. Mapping Interactions Between Estradiol Derivatives and the Alpha Estrogenic Receptor.

Ludovic Kurunczi, Edward Seclaman, Tudor I. Oprea, Luminita Crisan, Zeno Simon

Journal:

Year:

2005

File:

PDF, 8 KB

2005

29

ChemInform Abstract: Highly Efficient Synthesis and Characterization of the GPR30-Selective Agonist G-1 and Related Tetrahydroquinoline Analogues.

Ritwik Burai, Chinnasamy Ramesh, Marvin Shorty, Ramona Curpan, Cristian Bologa, Larry A. Sklar, Tudor Oprea, Eric R. Prossnitz, Jeffrey B. Arterburn

Journal:

Year:

2010

Language:

english

File:

PDF, 51 KB

english, 2010

30

Duplex high-throughput flow cytometry screen identifies two novel formylpeptide receptor family probes

Susan M. Young, Cristian M. Bologa, Dan Fara, Bj K. Bryant, Juan Jacob Strouse, Jeffrey B. Arterburn, Richard D. Ye, Tudor I. Oprea, Eric R. Prossnitz, Larry A. Sklar, Bruce S. Edwards

Journal:

Cytometry Part A

Year:

2009

Language:

english

File:

PDF, 676 KB

english, 2009

31

Expression of estrogen receptor GPR30 in the rat spinal cord and in autonomic and sensory ganglia

Siok L. Dun, G. Cristina Brailoiu, Xin Gao, Eugen Brailoiu, Jeffrey B. Arterburn, Eric R. Prossnitz, Tudor I. Oprea, Nae J. Dun

Journal:

Journal of Neuroscience Research

Year:

2009

Language:

english

File:

PDF, 1.20 MB

english, 2009

32

Transporter-Mediated Efflux Influences CNS Side Effects: ABCB1, from Antitarget to Target

Fabio Broccatelli, Emanuele Carosati, Gabriele Cruciani, Tudor I. Oprea

Journal:

Molecular Informatics

Year:

2010

Language:

english

File:

PDF, 831 KB

english, 2010

33

Associating Drugs, Targets and Clinical Outcomes into an Integrated Network Affords a New Platform for Computer-Aided Drug Repurposing

Tudor I. Oprea, Sonny Kim Nielsen, Oleg Ursu, Jeremy J. Yang, Olivier Taboureau, Stephen L. Mathias, Irene Kouskoumvekaki, Larry A. Sklar, Cristian G. Bologa

Journal:

Molecular Informatics

Year:

2011

Language:

english

File:

PDF, 2.21 MB

english, 2011

34

Next-generation QSAR

Journal:

Molecular Informatics

Year:

2011

Language:

english

File:

PDF, 88 KB

english, 2011

35

2D QSAR and similarity studies on cruzain inhibitors aimed at improving selectivity over cathepsin L

Renato F. Freitas, Tudor I. Oprea, Carlos A. Montanari

Journal:

Bioorganic & Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 1000 KB

english, 2008

36

Small molecule inhibitors of hantavirus infection

Pamela R. Hall, Andrei Leitão, Chunyan Ye, Kathleen Kilpatrick, Brian Hjelle, Tudor I. Oprea, Richard S. Larson

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 1.28 MB

english, 2010

37

Pursuing the leadlikeness concept in pharmaceutical research

Mike M Hann, Tudor I Oprea

Journal:

Current Opinion in Chemical Biology

Year:

2004

Language:

english

File:

PDF, 231 KB

english, 2004

38

Next-generation therapeutics

Journal:

Current Opinion in Chemical Biology

Year:

2004

Language:

english

File:

PDF, 56 KB

english, 2004

39

QSAR studies of disperse azo dyes. Towards the negation of the pharmacophore theory of dye-fiber interaction?

Tudor Ionel Oprea, Ludovic Kurunczi, Simona Timofei

Journal:

Dyes and Pigments

Year:

1997

Language:

english

File:

PDF, 1.31 MB

english, 1997

40

Chemical information management in drug discovery: Optimizing the computational and combinatorial chemistry interfaces

Tudor I. Oprea, Johan Gottfries, Vladimir Sherbukhin, Peder Svensson, Thomas C. Kühler

Journal:

Journal of Molecular Graphics and Modelling

Year:

2000

Language:

english

File:

PDF, 2.02 MB

english, 2000

41

Chemical information management in drug discovery: Optimizing the computational and combinatorial chemistry interfaces

Tudor I. Oprea, Johan Gottfries, Vladimir Sherbukhin, Peder Svensson, Thomas C. Kühler

Journal:

Journal of Molecular Graphics and Modelling

Year:

2000

Language:

english

File:

PDF, 2.13 MB

english, 2000

42

Toward minimalistic modeling of oral drug absorption

Tudor I. Oprea, Johan Gottfries

Journal:

Journal of Molecular Graphics and Modelling

Year:

1999

Language:

english

File:

PDF, 722 KB

english, 1999

43

Black Swans and white tablets

Tudor I Oprea, Andrew L Hopkins

Journal:

Chemistry Central Journal

Year:

2008

Language:

english

File:

PDF, 69 KB

english, 2008

44

Alpine–subalpine species richness of the Romanian Carpathians and the current conservation status of rare species

Gheorghe Coldea, Ilie-Adrian Stoica, Mihai Puşcaş, Tudor Ursu, Adrian Oprea, The IntraBioDiv Consortium

Journal:

Biodiversity and Conservation

Year:

2009

Language:

english

File:

PDF, 423 KB

english, 2009

45

An automated PLS search for biologically relevant QSAR descriptors

Marius Olah, Cristian Bologa, Tudor I. Oprea

Journal:

Journal of Computer-Aided Molecular Design

Year:

2004

Language:

english

File:

PDF, 303 KB

english, 2004

46

Descriptor collision and confusion: Toward the design of descriptors to mask chemical structures

Cristian Bologa, Tharun Kumar Allu, Marius Olah, Michael A. Kappler, Tudor I. Oprea

Journal:

Journal of Computer-Aided Molecular Design

Year:

2005

Language:

english

File:

PDF, 312 KB

english, 2005

47

Surrogate data – a secure way to share corporate data

Igor V. Tetko, Ruben Abagyan, Tudor I. Oprea

Journal:

Journal of Computer-Aided Molecular Design

Year:

2005

Language:

english

File:

PDF, 393 KB

english, 2005

48

Lead-like, drug-like or “Pub-like”: how different are they?

Tudor I. Oprea, Tharun Kumar Allu, Dan C. Fara, Ramona F. Rad, Lili Ostopovici, Cristian G. Bologa

Journal:

Journal of Computer-Aided Molecular Design

Year:

2007

Language:

english

File:

PDF, 165 KB

english, 2007

49

Virtual screening applications: a study of ligand-based methods and different structure representations in four different scenarios

Dimitar P. Hristozov, Tudor I. Oprea, Johann Gasteiger

Journal:

Journal of Computer-Aided Molecular Design

Year:

2007

Language:

english

File:

PDF, 1.51 MB

english, 2007

50

Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?

Andrew C. Good, Tudor I. Oprea

Journal:

Journal of Computer-Aided Molecular Design

Year:

2008

Language:

english

File:

PDF, 501 KB

english, 2008