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1

Design principles for fragment libraries – Maximizing the value of learnings from Pharma fragment based drug discovery (FBDD) programs for use in academia

Keseru, Gyorgy M, Erlanson, Daniel Andrew, Ferenczy, Gyorgy G, Hann, Michael M., Murray, Christopher W, Pickett, Stephen D.

Journal:

Journal of Medicinal Chemistry

Year:

2016

Language:

english

File:

PDF, 1.19 MB

english, 2016

2

Colour Polymorphism of a Bis(quinoxaline) Compound

Éva Csikós, György G. Ferenczy, János G. Ángyán, Zsolt Böcskei, Kálmán Simon, Csaba Gönczi, István Hermecz, István Hermecz

Journal:

European Journal of Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 298 KB

english, 1999

3

The active site of cytochrome P-450 nifedipine oxidase: a model-building study

Gyorgy G. Ferenczy, Garrett M. Morris

Journal:

Journal of Molecular Graphics

Year:

1989

Language:

english

File:

PDF, 609 KB

english, 1989

4

Thermodynamics guided lead discovery and optimization

György G. Ferenczy, György M. Keserű

Journal:

Drug Discovery Today

Year:

2010

Language:

english

File:

PDF, 911 KB

english, 2010

5

Molecular Electrostatics

Naray-Szabo, Gabor., Ferenczy, Gyorgy G.

Journal:

Chemical Reviews

Year:

1995

Language:

english

File:

PDF, 8.52 MB

english, 1995

6

A Simple Spatial Model to Explain the Distribution of Human Tick-Borne Encephalitis Cases in Hungary

Rácz, Gábor R., Bán, Enikõ, Ferenczi, Emõke, Berencsi, György

Journal:

Vector-Borne and Zoonotic Diseases

Year:

2006

Language:

english

File:

PDF, 361 KB

english, 2006

7

A QM/MM program using frozen localized orbitals and the Huzinaga equation

Hégely, Bence, Bogár, Ferenc, Ferenczy, György G., Kállay, Mihály

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2015

Language:

english

File:

PDF, 799 KB

english, 2015

8

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

9

CpG methylation in human papillomavirus (HPV) type 31 long control region (LCR) in cervical infections associated with cytological abnormalities

László, Brigitta, Ferenczi, Annamária, Madar, László, Gyöngyösi, Eszter, Szalmás, Anita, Szakács, Levente, Veress, György, Kónya, József

Journal:

Year:

2016

Language:

english

File:

PDF, 723 KB

english, 2016

10

Comparative Evaluation of Covalent Docking Tools

Scarpino, Andrea, Ferenczy, Gyorgy G, Keserű, György M

Journal:

Journal of Chemical Information and Modeling

Year:

2018

Language:

english

File:

PDF, 3.20 MB

english, 2018

11

The self-consistent nonorthogonal group function approach in reduced basis frozen-core calculations

György G. Ferenczy

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 558 KB

english, 1996

12

Solute polarization and the design of cobalt complexes as redox-active therapeutic agents

Jian Hui Wu, Peter J. Winn, György G. Ferenczy, Christopher A. Reynolds

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 204 KB

english, 1999

13

Quantum mechanical study of the hydride shift step in the xylose isomerase catalytic reaction with the fragment self-consistent field method

György G. Ferenczy, Gábor Náray–Szabó, Péter Várnai

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 475 KB

english, 1999

14

Intra- and intermolecular interactions in crystals of polar molecules. A study by the mixed quantum mechanical/molecular mechanical SCMP-NDDO method

György G. Ferenczy, János G. Ángyán

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 180 KB

english, 2001

15

Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison with ab initio values

Gyorgy G. Ferenczy, Christopher A. Reynolds, W. Graham Richards

Journal:

Journal of Computational Chemistry

Year:

1990

Language:

english

File:

PDF, 725 KB

english, 1990

16

Charges derived from distributed multipole series

György G. Ferenczy

Journal:

Journal of Computational Chemistry

Year:

1991

Language:

english

File:

PDF, 441 KB

english, 1991

17

NDDO fragment self-consistent field approximation for large electronic systems

György G. Ferenczy, Jean-Louis Rivail, Péter R. Surján, Gábor Náray-Szabó

Journal:

Journal of Computational Chemistry

Year:

1992

Language:

english

File:

PDF, 653 KB

english, 1992

18

Quantum mechanical computations on very large molecular systems: The local self-consistent field method

Vincent Théry, Daniel Rinaldi, Jean-Louis Rivail, Bernard Maigret, György G. Ferenczy

Journal:

Journal of Computational Chemistry

Year:

1994

Language:

english

File:

PDF, 1.04 MB

english, 1994

19

The molecular structure of uracil: an electron diffraction study

György Ferenczy, László Harsányi, Béla Rozsondai, István Hargittai

Journal:

Journal of Molecular Structure

Year:

1986

Language:

english

File:

PDF, 414 KB

english, 1986

20

Imidazo[1,2-c]quinazolines with lipid peroxidation inhibitory effect

György Domány, Tibor Gizur, Anikó Gere, Krisztina Takács-Novák, György Farsang, György G. Ferenczy, Gábor Tárkányi, Mária Demeter

Journal:

European Journal of Medicinal Chemistry

Year:

1998

Language:

english

File:

PDF, 615 KB

english, 1998

21

The neglect of diatomic differential overlap (NDDO) fragment self-consistent field method for the treatment of very large covalent systems

Gábor Náaray-Szabó, Gergely Tóth, György G. Ferenczy, Gábor Csonka

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 1.20 MB

english, 1994

22

Approximate energy-evaluating schemes for a system of weakly overlapping group functions

György G. Ferenczy

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 540 KB

english, 1995

23

Effects of bone and mineral metabolism on arterial elasticity in chronic renal failure

Éva Kis, Orsolya Cseprekál, Edina Bíró, Kata Kelen, Dóra Ferenczi, Andrea Kerti, Attila J. Szabó, Antal Szabó, György S. Reusz

Journal:

Pediatric Nephrology

Year:

2009

Language:

english

File:

PDF, 153 KB

english, 2009

24

First detection of Tula hantaviruses inMicrotus arvalisvoles in Hungary

Ferenc Jakab, Győző Horváth, Emőke Ferenczi, Judit Sebők, György Szűcs

Journal:

Archives of Virology

Year:

2008

Language:

english

File:

PDF, 234 KB

english, 2008

25

Estimation of Impurity Profiles of Drugs and Related Materials. 12. Isolation and Identification of an Isomeric Impurity in Danazol

Gábor Balogh, Éva Csizér, György G. Ferenczy, Zsuzsanna Halmos, Bulcsu Herényi, Péter Horváth, Anna Laukó, Sándor Görög

Journal:

Pharmaceutical Research

Year:

1995

File:

PDF, 609 KB

1995

26

Thermodynamics of Fragment Binding

Ferenczy, György G., Keserű, György M.

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 1.38 MB

english, 2012

27

Toward Improved Force Fields. 2. Effective Distributed Multipoles

Ferenczy, György G., Winn, Peter J., Reynolds, Christopher A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 223 KB

english, 1997

28

Toward Improved Force Fields. 1. Multipole-Derived Atomic Charges

Winn, Peter J., Ferenczy, György G., Reynolds, Christopher A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 178 KB

english, 1997

29

Classical Polarization in Hybrid QM/MM Methods

Winn, Peter J., Jones, Garth A., Ferenczy, György G., Reynolds, Christopher A., Illingworth, Christopher J. R., Gooding, Stuart R.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 289 KB

english, 2006

30

Molecular wavefunctions from chemical bonds: the fragment self-consistent field theory

Gábor Náray-Szabó, György G. Ferenczy

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 506 KB

english, 1992

31

Protein electrostatics on personal computers

György G. Ferenczy, János G. Ángyán, Tibor Koritsánszky, Jenö Nagy, Gábor Náray-Szabó

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 631 KB

english, 1992

32

Methods for determining the reliability of semiempirical electrostatic potentials and potential derived charges

Christopher A. Reynolds, Gyorgy G. Ferenczy, W.Graham Richards

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 4.86 MB

english, 1992

33

Ion beam induced chemical effects in organosilicon polymers

András Tóth, Imre Bertóti, Giovanni Marletta, György G. Ferenczy, Miklós Mohai

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

1996

Language:

english

File:

PDF, 581 KB

english, 1996

34

Tick-borne encephalitis outbreak in Hungary due to consumption of raw goat milk

Zsuzsanna Balogh, Emoke Ferenczi, Klara Szeles, Pawel Stefanoff, Wlodzimierz Gut, Katalin N. Szomor, Maria Takacs, Gyorgy Berencsi

Journal:

Journal of Virological Methods

Year:

2010

Language:

english

File:

PDF, 142 KB

english, 2010

35

Monte Carlo simulation of amorphous systems with the fragment self-consistent field method

Gergely Tóth, Gábor Náray-Szabó, György G. Ferenczy, Gábor Csonka

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 374 KB

english, 1997

36

Electronic structure of doped fourfold coordinated amorphous semiconductors. Midgap states in amorphous carbon

Krisztina Kádas, György G. Ferenczy

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 91 KB

english, 1999

37

Calculation of electrostatic potentials and fields inside zeolite cavities

Ángyán, János G., Ferenczy, György, Nagy, Péter, Náray-Szabó, Gábor

Journal:

Collection of Czechoslovak Chemical Communications

Year:

1988

Language:

english

File:

PDF, 669 KB

english, 1988

38

Detection of Dobrava hantaviruses in Apodemus agrarius mice in the Transdanubian region of Hungary

Ferenc Jakab, Győző Horváth, Emőke Ferenczi, Judit Sebők, Zoltán Varecza, György Szűcs

Journal:

Year:

2007

Language:

english

File:

PDF, 295 KB

english, 2007

39

Theory of dopant pairs in four-fold coordinated amorphous semiconductors

Krisztina Kádas, György G Ferenczy, Sándor Kugler

Journal:

Journal of Non-Crystalline Solids

Year:

1998

Language:

english

File:

PDF, 80 KB

english, 1998

40

Day-night blood pressure variation in normotensive and hypertensive NIDDM patients with asymptomatic autonomic neuropathy

György Jermendy, Judit Ferenczi, Edina Hernandez, Klára Farkas, Judit Nádas

Journal:

Diabetes Research and Clinical Practice

Year:

1996

Language:

english

File:

PDF, 666 KB

english, 1996

41

Effects of human papillomavirus (HPV) type 16 oncoproteins on the expression of involucrin in human keratinocytes

Eszter Gyöngyösi, Anita Szalmás, Annamária Ferenczi, József Kónya, Lajos Gergely, György Veress

Journal:

Virology Journal

Year:

2012

Language:

english

File:

PDF, 534 KB

english, 2012

42

How Are Fragments Optimized? A Retrospective Analysis of 145 Fragment Optimizations

Ferenczy, György G., Keserű, György M.

Journal:

Journal of Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 478 KB

english, 2013

43

Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. Part I. Application of the Huzinaga equation

Ferenczy, György G.

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 1.21 MB

english, 2013

44

Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. II. Application of the local basis equation

Ferenczy, György G.

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 1.24 MB

english, 2013

45

[Lecture Notes in Physics] New Developments in Semiconductor Physics Volume 122 || Large defect-lattice relaxation phenomena in solids

Beleznay, Ferenc, Ferenczi, György, Giber, János

Year:

1980

Language:

english

File:

PDF, 1.09 MB

english, 1980

46

Sequence variation of human papillomavirus Type 31 long control region: Phylogenetic and functional implications

Ferenczi, Annamária, Gyöngyösi, Eszter, Szalmás, Anita, Hernádi, Zoltán, Tóth, Zoltán, Kónya, József, Veress, György

Journal:

Journal of Medical Virology

Year:

2013

Language:

english

File:

PDF, 324 KB

english, 2013

47

Severe tick-borne encephalitis in a patient previously infected by West Nile virus

Ferenczi, Emöke, Bán, Enikö, Ábrahám, Anita, Kaposi, Tamásné, Petrányi, Gábor, Berencsi, György, Vaheri, Antti

Journal:

Scandinavian Journal of Infectious Diseases

Year:

2008

Language:

english

File:

PDF, 61 KB

english, 2008

48

Prediction of carcinogenicity from molecular structure; modification and reinvestigation of the method

Magdó, Ildikó, Ferenczy, György G., Bencz, Zoltán

Journal:

Year:

1994

Language:

english

File:

PDF, 567 KB

english, 1994

49

Modeling Polarization through Induced Atomic Charges

Ferenczy, György G., Reynolds, Christopher A.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 91 KB

english, 2001

50

[Lecture Notes in Physics] New Developments in Semiconductor Physics Volume 122 || Properties of an extended defect in GaAs.62P.38

Beleznay, Ferenc, Ferenczi, György, Giber, János

Year:

1980

Language:

english

File:

PDF, 231 KB

english, 1980

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