Kroemer, Romano T.: search on Z-Library

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1

Prediction of the three-dimensional structure of human interleukin-7 by homology modeling

Kroemer, Romano T., Doughty, Stephen W., Robinson, Alan J., Richards, W. Graham

Journal:

Protein Engineering Design and Selection

Year:

1996

Language:

english

File:

PDF, 3.03 MB

english, 1996

2

Structure-Based Drug Design: Docking and Scoring

Romano T. Kroemer, Bentham Science Publisher

Journal:

Current Protein & Peptide Science

Year:

2007

Language:

english

File:

PDF, 299 KB

english, 2007

3

ChemInform Abstract: Probing the Glycosidic Linkage: Secondary Structures in the Gas Phase

John P. Simons, E. Cristina Stanca-Kaposta, Emilio J. Cocinero, B. Liu, Benjamin G. Davis, David P. Gamblin, Romano T. Kroemer

Journal:

Year:

2009

File:

PDF, 15 KB

2009

4

Replacement of steric 6–12 potential-derived interaction energies by atom-based indicator variables in CoMFA leads to models of higher consistency

Romano T. Kroemer, Peter Hecht

Journal:

Journal of Computer-Aided Molecular Design

Year:

1995

Language:

english

File:

PDF, 705 KB

english, 1995

5

A Concerted Molecular Design Method by Temperature-Guided Monte Carlo Search / Potential Applications forab initioLigand Design

Jeffrey H. Rothman, Romano T. Kroemer

Journal:

Journal of Molecular Modeling

Year:

1997

Language:

english

File:

PDF, 614 KB

english, 1997

6

Conformational Preferences of Neurotransmitters: Norephedrine and the Adrenaline Analogue, 2-Methylamino-1-phenylethanol

Butz, Patrick, Kroemer, Romano T., Macleod, Neil A., Robertson, Evan G., Simons, John P.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 178 KB

english, 2001

7

Hydrogen Bonding and Cooperativity in Isolated and Hydrated Sugars: Mannose, Galactose, Glucose, and Lactose

Çarçabal, Pierre, Jockusch, Rebecca A., Hünig, Isabel, Snoek, Lavina C., Kroemer, Romano T., Davis, Benjamin G., Gamblin, David P., Compagnon, Isabelle, Oomens, Jos, Simons, John P.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 655 KB

english, 2005

8

The structure, modelling and dynamics of 2,7-diisopropoxy-1,8-diarylnaphthalenes

Thirsk, Carl, Hawkes, Geoffrey E., Kroemer, Romano T., Liedl, Klaus R., Loerting, Thomas, Nasser, Rima, Pritchard, Robin G., Steele, Melanie, Warren, John E., Whiting*, Andrew

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

2002

Language:

english

File:

PDF, 583 KB

english, 2002

9

A spectroscopic and computational exploration of tryptophan–water cluster structures in the gas phase

Snoek, Lavina C., Kroemer, Romano T., Simons, John P.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 713 KB

english, 2002

10

Hydrated complexes of tryptophan: ion dip infrared spectroscopy in the ?molecular fingerprint? region, 100?2000 cm?1

�ar�abal, Pierre, Kroemer, Romano T., Snoek, Lavina C., Simons, John P., Bakker, Joost M., Compagnon, Isabelle, Meijer, Gerard, Helden, Gert von

Journal:

Physical Chemistry Chemical Physics

Year:

2004

Language:

english

File:

PDF, 738 KB

english, 2004

11

On the Surprising Kinetic Stability of Carbonic Acid (H2CO3)

Thomas Loerting, Christofer Tautermann, Romano T. Kroemer, Ingrid Kohl, Andreas Hallbrucker, Erwin Mayer, Klaus R. Liedl

Journal:

Angewandte Chemie International Edition

Year:

2000

Language:

english

File:

PDF, 147 KB

english, 2000

12

3D-Quantitative Structure-Activity Relationships of Human Immunodeficiency Virus Type-1 Proteinase Inhibitors: Comparative Molecular Field Analysis of 2-Heterosubstituted Statine Derivatives-Implications for the Design of Novel Inhibitors

Kroemer, Romano T., Ettmayer, Peter, Hecht, Peter

Journal:

Journal of Medicinal Chemistry

Year:

1995

Language:

english

File:

PDF, 3.55 MB

english, 1995

13

1,2-Carbon to nitrogen migrations. Part 2. Ab initio study on the rearrangement of (?-methylazo)alkyl isocyanates

Kroemer, Romano T., Gstach, Hubert, Liedl, Klaus R., Rode, Bernd M.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1994

Language:

english

File:

PDF, 751 KB

english, 1994

14

Conformational landscapes in flexible organic molecules: 3-phenylpropanol

M. F. Elks, John, T. Kroemer, Romano, McCombie, June, G. Robertson, Evan, P. Simons, John, Walker, Melinda

Journal:

Year:

1998

Language:

english

File:

PDF, 241 KB

english, 1998

15

Conformationally induced rotation of a molecular electronic transition moment

Joireman, Paul W., Kroemer, Romano T., Pratt, David W., Simons, John P.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 495 KB

english, 1996

16

AIF and cyclophilin A cooperate in apoptosis-associated chromatinolysis

Candé, Céline, Vahsen, Nicola, Kouranti, Ilektra, Schmitt, Elise, Daugas, Eric, Spahr, Chris, Luban, Jeremy, Kroemer, Romano T, Giordanetto, Fabrizio, Garrido, Carmen

Journal:

Year:

2004

Language:

english

File:

PDF, 341 KB

english, 2004

17

Comparative Molecular Field Analysis of Haptens Docked to the Multispecific Antibody IgE(Lb4)

Gamper, Armin M., Winger, Rudolf H., Liedl, Klaus R., Sotriffer, Christoph A., Varga, Janos M., Kroemer, Romano T., Rode, Bernd M.

Journal:

Journal of Medicinal Chemistry

Year:

1997

Language:

english

File:

PDF, 92 KB

english, 1997

18

Hydration of neurotransmitters: a spectroscopic and computational study of ephedrine and its diastereoisomer pseudoephedrineElectronic supplementary information (ESI) available: Calculated (B3LYP/6-31+G*) infra-red frequencies and intensities for singly and doubly hydrated clusters of ephedrine and pseudoephedrine. See http://www.rsc.org/suppdata/cp/b2/b203846c/

Butz, Patrick, Kroemer, Romano T., Macleod, Neil A., Simons, John P.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 505 KB

english, 2002

19

Virtual screening to enrich a compound collection with CDK2 inhibitors using docking, scoring, and composite scoring models

Simona Cotesta, Fabrizio Giordanetto, Jean-Yves Trosset, Patrizia Crivori, Romano T. Kroemer, Pieter F.W. Stouten, Anna Vulpetti

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2005

Language:

english

File:

PDF, 901 KB

english, 2005

20

Fatal liaisons of p53 with Bax and Bak

Perfettini, Jean-Luc, Kroemer, Romano T., Kroemer, Guido

Journal:

Nature Cell Biology

Year:

2004

Language:

english

File:

PDF, 256 KB

english, 2004

21

The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes

Cross, Wendy, Hawkes, Geoffrey E., Kroemer, Romano T., Liedl, Klaus R., Loerting, Thomas, Nasser, Rima, Pritchard, Robin G., Steele, Melanie, Watkinson, Michael, Whiting, Andrew

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

2001

Language:

english

File:

PDF, 1001 KB

english, 2001

22

Comparative Molecular Field Analysis of Haptens Docked to the Multispecific Antibody IgE(Lb4)

Gamper, Armin M., Winger, Rudolf H., Liedl, Klaus R., Sotriffer, Christoph A., Varga, Janos M., Kroemer, Romano T., Rode, Bernd M.

Journal:

Journal of Medicinal Chemistry

Year:

1996

Language:

english

File:

PDF, 336 KB

english, 1996

23

Probing the glycosidic linkage: secondary structures in the gas phase

Simons, John P, Cristina Stanca-Kaposta, E, Cocinero, Emilio J, Liu, B, Davis, Benjamin G, Gamblin, David P, Kroemer, Romano T

Journal:

Physica Scripta

Year:

2008

Language:

english

File:

PDF, 1.61 MB

english, 2008

24

Hydrogen transitions between (HF)n Cnh structures (n=2−5) via Dnh transition states as models for hydrogen tunneling in hydrogen fluoride clusters

Klaus R. Liedl, Romano T. Kroemer, Bernd M. Rode

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 497 KB

english, 1995

25

Alanyl Side Chain Folding in Phenylalanine: Conformational Assignments through Ultraviolet Rotational Band Contour Analysis

Lee, Yonghoon, Jung, Jiwon, Kim, Bongsoo, Butz, Patrick, Snoek, Lavina C., Kroemer, Romano T., Simons, John P.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 94 KB

english, 2004

26

Inhibitors of vitamin D hydroxylases: Structure–activity relationships

Inge Schuster, Helmut Egger, Peter Nussbaumer, Romano T. Kroemer

Journal:

Journal of Cellular Biochemistry

Year:

2003

Language:

english

File:

PDF, 309 KB

english, 2003

27

Improving the predictive quality of CoMFA models

Romano T. Kroemer, Peter Hecht, Stefan Guessregen, Klaus R. Liedl

Journal:

Perspectives in Drug Discovery and Design

Year:

1998

Language:

english

File:

PDF, 124 KB

english, 1998

28

Probing the Glycosidic Linkage: UV and IR Ion-Dip Spectroscopy of a Lactoside

Jockusch, Rebecca A., Kroemer, Romano T., Talbot, Francis O., Snoek, Lavina C., Çarçabal, Pierre, Simons, John P., Havenith, Martina, Bakker, Joost M., Compagnon, Isabelle, Meijer, Gerard, von Helden,

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 271 KB

english, 2004

29

Solvent Interactions and Conformational Choice in a Core N -Glycan Segment: Gas Phase Conformation of the Central, Branching Trimannose Unit and its Singly Hydrated Complex

Stanca-Kaposta, E. Cristina, Gamblin, David P., Cocinero, Emilio J., Frey, Jann, Kroemer, Romano T., Fairbanks, Antony J., Davis, Benjamin G., Simons, John P.

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 830 KB

english, 2008

30

Large-Scale Comparison of Four Binding Site Detection Algorithms

Schmidtke, Peter, Souaille, Catherine, Estienne, Frédéric, Baurin, Nicolas, Kroemer, Romano T.

Journal:

Journal of Chemical Information and Modeling

Year:

2010

Language:

english

File:

PDF, 2.21 MB

english, 2010

31

Zur überraschenden kinetischen Stabilität von Kohlensäure (H2CO3)

Thomas Loerting, Christofer Tautermann, Romano T. Kroemer, Ingrid Kohl, Andreas Hallbrucker, Erwin Mayer, Klaus R. Liedl

Journal:

Angewandte Chemie

Year:

2000

Language:

german

File:

PDF, 147 KB

german, 2000

32

Conformational Preferences of Neurotransmitters: Ephedrine and Its Diastereoisomer, Pseudoephedrine

Butz, Patrick, Kroemer, Romano T., Macleod, Neil A., Simons, John P.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 119 KB

english, 2001

33

On the competing hydrations of sulfur dioxide and sulfur trioxide in our atmosphere

Loerting, Thomas, Liedl, Klaus R., Kroemer, Romano T.

Journal:

Chemical Communications

Year:

2000

Language:

english

File:

PDF, 244 KB

english, 2000

34

Homology modeling study of the human interleukin-7 receptor complex

Kroemer, Romano T., Richards, W. Graham

Journal:

Protein Engineering Design and Selection

Year:

1996

Language:

english

File:

PDF, 4.47 MB

english, 1996

35

A structural model of the human thrombopoietin receptor complex

Charlotte M. Deane, Romano T. Kroemer, W. Graham Richards

Journal:

Journal of Molecular Graphics and Modelling

Year:

1997

Language:

english

File:

PDF, 9.42 MB

english, 1997

36

1,2-Shift of Carbon to Electron-Deficient Nitrogen Is Not a Nucleophilic Rearrangement. Ab Initio Study on a 1,2-Rearrangement in 1,2,4-Triazolium Salts

Kroemer, Romano T., Gstach, Hubert, Liedl, Klaus R., Rode, Bernd M.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 2.24 MB

english, 1994

37

Quantitative Analysis of the Structural Requirements for Blockade of the N -Methyl- d -aspartate Receptor at the Phencyclidine Binding Site

Kroemer, Romano T., Koutsilieri, Eleni, Hecht, Peter, Liedl, Klaus R., Riederer, Peter, Kornhuber, Johannes

Journal:

Journal of Medicinal Chemistry

Year:

1998

Language:

english

File:

PDF, 121 KB

english, 1998

38

Entropy from State Probabilities: Hydration Entropy of Cations

Huber, Roland G., Fuchs, Julian E., von Grafenstein, Susanne, Laner, Monika, Wallnoefer, Hannes G., Abdelkader, Nejma, Kroemer, Romano T., Liedl, Klaus R.

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 839 KB

english, 2013

39

Highly Accurate Estimates of Hydrogen-Bond Energies Relying on Basis Set Convergence Patterns

Liedl, Klaus R., Kroemer, Romano T.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 126 KB

english, 1998

40

Infrared Ion Dip Spectroscopy of a Noradrenaline Analogue: Hydrogen Bonding in 2-Amino-1-phenylethanol and Its Singly Hydrated Complex

Graham, Richard J., Kroemer, Romano T., Mons, Michel, Robertson, Evan G., Snoek, Lavina C., Simons, John P.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 98 KB

english, 1999

41

Hydrated Sugars in the Gas Phase: Spectroscopy and Conformation of Singly Hydrated Phenyl β- d -Glucopyranoside †

Jockusch, Rebecca A., Kroemer, Romano T., Talbot, Francis O., Simons, John P.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 178 KB

english, 2003

42

Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations.

Romano T. Kroemer, Anna Vulpetti, Joseph J. McDonald, Douglas C. Rohrer, Jean-Yves Trosset, Fabrizio Giordanetto, Simona Cotesta, Colin McMartin, Mats Kihlen, Pieter F. W. Stouten

Journal:

Year:

2004

File:

PDF, 82 KB

2004

43

Alignment of molecules by the Monte Carlo optimization of molecular similarity indices

Parretti, Martin F., Kroemer, Romano T., Rothman, Jeffrey H., Richards, W. Graham

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 261 KB

english, 1997

44

Novel Scoring Functions Comprising QXP, SASA, and Protein Side-Chain Entropy Terms.

Fabrizio Giordanetto, Simona Cotesta, Cornel Catana, Jean-Yves Trosset, Anna Vulpetti, Pieter F. W. Stouten, Romano T. Kroemer

Journal:

Year:

2004

File:

PDF, 82 KB

2004

45

A new procedure for improving the predictiveness of CoMFA models and its application to a set of dihydrofolate reductase inhibitors

Romano T. Kroemer, Peter Hecht

Journal:

Journal of Computer-Aided Molecular Design

Year:

1995

Language:

english

File:

PDF, 889 KB

english, 1995

46

Building Up Key Segments of N -Glycans in the Gas Phase: Intrinsic Structural Preferences of the α(1,3) and α(1,6) Dimannosides

Çarçabal, Pierre, Hünig, Isabel, Gamblin, David P., Liu, Bo, Jockusch, Rebecca A., Kroemer, Romano T., Snoek, Lavina C., Fairbanks, Anthony J., Davis, Benjamin G., Simons, John P.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 365 KB

english, 2006

47

Structure, modelling and dynamic behaviour of aza- and azaoxamacrocyclic ligands derived from (R,R)-1,2-diaminocyclohexaneElectronic supplementary information (ESI) available: different views of compounds 6, 6a and 6b. See http://www.rsc.org/suppdata/ob/b3/b306963j/

Pulacchini, Sonia, Nasser, Rima, Sibbons, Kevin F., Motevalli, Majid, Hawkes, Geoffrey E., Kroemer, Romano T., Bento, Edson S., Watkinson, Michael

Journal:

Organic & Biomolecular Chemistry

Year:

2003

Language:

english

File:

PDF, 224 KB

english, 2003

48

Salt induced peptide formation: on the selectivity of the copper induced peptide formation under possible prebiotic conditions

Michael G. Schwendinger, Roma Tattler, Somporn Saetia, Klaus R. Liedl, Romano T. Kroemer, Bernd M. Rode

Journal:

Inorganica Chimica Acta

Year:

1995

Language:

english

File:

PDF, 858 KB

english, 1995

49

Sugars in the gas phase. Spectroscopy, conformation, hydration, co-operativity and selectivity

Simons, John P., Jockusch, Rebecca A., ÇarÇabal, Pierre, Hünig, Isabel, Kroemer, Romano T., Macleod, Neil A., Snoek, Lavina C.

Journal:

International Reviews in Physical Chemistry

Year:

2005

Language:

english

File:

PDF, 1.96 MB

english, 2005

50

Conformational Choice, Hydrogen Bonding, and Rotation of the S 1 ← S 0 Electronic Transition Moment in 2-Phenylethyl Alcohol, 2-Phenylethylamine, and Their Water Clusters

Dickinson, John A., Hockridge, Matthew R., Kroemer, Romano T., Robertson, Evan G., Simons, John P., McCombie, June, Walker, Melinda

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 238 KB

english, 1998

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