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1

Using Tough2-MP on a cluster—optimization methodology and study of scalability

Nicolas Hubschwerlen, Keni Zhang, Gerhard Mayer, Jean Roger, Bernard Vialay

Journal:

Computers & Geosciences

Année:

2012

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2012

2

ChemInform Abstract: Structure-Based Design of Potent β-Lactamase Inhibitors

K. Gubernator, I. Heinze-Krauss, P. Angehrn, R. L. Charnas, C. Hubschwerlen, C. Oefner, M. G. P. Page, F. K. Winkler

Journal:

Année:

1999

Fichier:

PDF, 27 KB

1999

3

ChemInform Abstract: Structure-Based Design of β-Lactamase Inhibitors. Part 2. Synthesis and Evaluation of Bridged Sulfactams and Oxamazins.

C. HUBSCHWERLEN, P. ANGEHRN, K. GUBERNATOR, M. G. P. PAGE, J.-L. SPECKLIN

Journal:

Année:

1999

Langue:

english

Fichier:

PDF, 39 KB

english, 1999

4

ChemInform Abstract: Structure-Based Design of β-Lactamase Inhibitors. Part 1. Synthesis and Evaluation of Bridged Monobactams.

C. HUBSCHWERLEN, M. G. P. PAGE, ET AL. ET AL.

Journal:

Année:

1999

Fichier:

PDF, 34 KB

1999

5

ChemInform Abstract: Phenyl β-Methoxyacrylates: A New Antimalarial Pharmacophore.

Jawad Alzeer, Jacques Chollet, Ingrid Heinze-Krauss, Christian Hubschwerlen, Hugues Matile, Robert G. Ridley

Journal:

Année:

2000

Fichier:

PDF, 35 KB

2000

6

ChemInform Abstract: Expeditious Solution Phase Synthesis of Fluoroquinolone Antibacterial Agents Using Polymer-Supported Reagents.

Peter Hilty, Christian Hubschwerlen, Andrew W. Thomas

Journal:

Année:

2001

Fichier:

PDF, 29 KB

2001

7

Diénamines hétérocycliques. III. Réexamen de la réaction de la base de Fischer avec le tétracyanoéthylène

Christian Hubschwerlen, Jean-Pierre Fleury, Hans Fritz

Journal:

Helvetica Chimica Acta

Année:

1977

Fichier:

PDF, 601 KB

1977

8

Réaction d'énamines dérivées de la cyclohexanone avec le tétracyanoéthylène

Christian Hubschwerlen, Jean-Pierre Fleury, Hans Fritz

Journal:

Helvetica Chimica Acta

Année:

1977

Fichier:

PDF, 455 KB

1977

9

An Enantioselective β-Lactam Synthesis Starting from L-(S)-Glyceraldehyde Acetonide

Christian Hubschwerlen, Gérard Schmid

Journal:

Helvetica Chimica Acta

Année:

1983

Langue:

english

Fichier:

PDF, 191 KB

english, 1983

10

Synthesis of [3H]fenobam, a radioligand for the mGlu5 receptor

Thomas Hartung, Jens-Uwe Peters, Jürgen Wichmann, Christian Hubschwerlen, Georg Jaeschke

Journal:

Journal of Labelled Compounds and Radiopharmaceuticals

Année:

2008

Langue:

english

Fichier:

PDF, 102 KB

english, 2008

11

Dienamines heterocycliques—I : Reaction de la base de fischer sur les ester acetyleniques

C. Hubschwerlen, J.P. Fleury, H. Fritz

Journal:

Année:

1976

Fichier:

PDF, 738 KB

1976

12

Diènamines hétérocycliques—II : Condensation de la base de fischer sur des aldéhydes aliphatiques satures. Formation d'azatriènes

Christian Hubschwerlen, Jean-Pierre Fleury

Journal:

Année:

1977

Fichier:

PDF, 374 KB

1977

13

Structure–activity relationship in the oxazolidinone–quinolone hybrid series: influence of the central spacer on the antibacterial activity and the mode of action

Christian Hubschwerlen, Jean-Luc Specklin, Daniel K. Baeschlin, Yves Borer, Sascha Haefeli, Christine Sigwalt, Susanne Schroeder, Hans H. Locher

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

2003

Langue:

english

Fichier:

PDF, 166 KB

english, 2003

14

Expeditious solution phase synthesis of fluoroquinolone antibacterial agents using polymer supported reagents

Peter Hilty, Christian Hubschwerlen, Andrew W Thomas

Journal:

Tetrahedron Letters

Année:

2001

Langue:

english

Fichier:

PDF, 66 KB

english, 2001

15

Solid- and solution-Phase synthesis of highly-Substituted-Pyrrolidine libraries

M Steger, C Hubschwerlen, G Schmid

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

2001

Langue:

english

Fichier:

PDF, 136 KB

english, 2001

16

Design, Synthesis and Biological Evaluation of Oxazolidinone–Quinolone Hybrids

Christian Hubschwerlen, Jean-Luc Specklin, Christine Sigwalt, Susanne Schroeder, Hans H Locher

Journal:

Bioorganic & Medicinal Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 218 KB

english, 2003

17

A new route to trinuclear carbocyanines

M. Niaz Khan, Jean-Pierre Fleury, Philippe Baumlin, Christian Hubschwerlen

Journal:

Année:

1985

Langue:

english

Fichier:

PDF, 497 KB

english, 1985

18

Refined crystal structure of β-lactamase from Citrobacter freundiiindicates a mechanism for β-lactam hydrolysis

Oefner, C., D'Arcy, A., Daly, J. J., Gubernator, K., Charnas, R. L., Heinze, I., Hubschwerlen, C., Winkler, F. K.

Journal:

Année:

1990

Fichier:

PDF, 594 KB

1990

19

ChemInform Abstract: Synthesis and Structure-Activity Relationship of (Lactamylvinyl) cephalosporins Exhibiting Activity Against Staphylococci, Pneumococci, and Enterococci.

I. HEINZE-KRAUSS, P. ANGEHRN, P. GUERRY, P. HEBEISEN, C. HUBSCHWERLEN, I. KOMPIS, M. G. P. PAGE, H. G. F. RICHTER, V. RUNTZ, H. STALDER, U. WEISS, C.-C. WEI

Journal:

Année:

1996

Fichier:

PDF, 35 KB

1996

20

Synthesis and Structure−Activity Relationship of (Lactamylvinyl)cephalosporins Exhibiting Activity against Staphylococci, Pneumococci, and Enterococci

Heinze-Krauss, Ingrid, Angehrn, Peter, Guerry, Philippe, Hebeisen, Paul, Hubschwerlen, Christian, Kompis, Ivan, Page, Malcolm G. P., Richter, Hans G. F., Runtz, Valérie, Stalder, Henri, Weiss, Urs, We

Journal:

Journal of Medicinal Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 307 KB

english, 1996

21

Pyrimido[1,6-a]benzimidazoles: a new class of DNA gyrase inhibitors

Hubschwerlen, C., Pflieger, P., Specklin, J. L., Gubernator, K., Gmuender, H., Angehrn, P., Kompis, I.

Journal:

Journal of Medicinal Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 1.66 MB

english, 1992

22

Biomimetic Total Synthesis and Antimicrobial Evaluation of Anachelin H

Gademann, Karl, Bethuel, Yann, Locher, Hans H., Hubschwerlen, Christian

Journal:

Journal of Organic Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 334 KB

english, 2007

23

Structure-Based Design of β-Lactamase Inhibitors. 1. Synthesis and Evaluation of Bridged Monobactams

Heinze-Krauss, Ingrid, Angehrn, Peter, Charnas, Robert L., Gubernator, Klaus, Gutknecht, Eva-Maria, Hubschwerlen, Christian, Kania, Malgosia, Oefner, Christian, Page, Malcolm G. P., Sogabe, Satoshi, S

Journal:

Journal of Medicinal Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 315 KB

english, 1998

24

Hydroxamic Acid Derivatives as Potent Peptide Deformylase Inhibitors and Antibacterial Agents

Apfel, Christian, Banner, David W., Bur, Daniel, Dietz, Michel, Hirata, Takahiro, Hubschwerlen, Christian, Locher, Hans, Page, Malcolm G. P., Pirson, Wolfgang, Rossé, Gérard, Specklin, Jean-Luc

Journal:

Journal of Medicinal Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 230 KB

english, 2000

25

Design, Synthesis, and Characterization of Novel Tetrahydropyran-Based Bacterial Topoisomerase Inhibitors with Potent Anti-Gram-Positive Activity

Surivet, Jean-Philippe, Zumbrunn, Cornelia, Rueedi, Georg, Hubschwerlen, Christian, Bur, Daniel, Bruyère, Thierry, Locher, Hans, Ritz, Daniel, Keck, Wolfgang, Seiler, Peter, Kohl, Christopher, Gauvin,

Journal:

Journal of Medicinal Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 1.15 MB

english, 2013

26

Novel Dihydrofolate Reductase Inhibitors. Structure-Based versus Diversity-Based Library Design and High-Throughput Synthesis and Screening

Wyss, Pierre C., Gerber, Paul, Hartman, Peter G., Hubschwerlen, Christian, Locher, Hans, Marty, Hans-Peter, Stahl, Martin

Journal:

Journal of Medicinal Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 292 KB

english, 2003

27

Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity

Surivet, Jean-Philippe, Lange, Roland, Hubschwerlen, Christian, Keck, Wolfgang, Specklin, Jean-Luc, Ritz, Daniel, Bur, Daniel, Locher, Hans, Seiler, Peter, Strasser, Daniel Stefan, Prade, Lars, Kohl,

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

2012

Langue:

english

Fichier:

PDF, 1.79 MB

english, 2012

28

A Convenient Synthesis of L-( S )-Glyceraldehyde Acetonide from L-Ascorbic Acid

Hubschwerlen, Christian

Journal:

Année:

1986

Fichier:

PDF, 265 KB

1986

29

In Vitro and In Vivo Antibacterial Evaluation of Cadazolid, a New Antibiotic for Treatment of Clostridium difficile Infections

Locher, H. H., Seiler, P., Chen, X., Schroeder, S., Pfaff, P., Enderlin, M., Klenk, A., Fournier, E., Hubschwerlen, C., Ritz, D., Kelly, C. P., Keck, W.

Journal:

Antimicrobial Agents and Chemotherapy

Année:

2014

Langue:

english

Fichier:

PDF, 397 KB

english, 2014

30

2-(2-Oxo-1,4-dihydro-2 H -quinazolin-3-yl)- and 2-(2,2-Dioxo-1,4-dihydro-2 H -2λ 6 -benzo[1,2,6]thiadiazin-3-yl)- N -hydroxy-acetamides as Potent and Selective Peptide Deformylase Inhibitors

Apfel, Christian, Banner, David W., Bur, Daniel, Dietz, Michel, Hubschwerlen, Christian, Locher, Hans, Marlin, Frédéric, Masciadri, Raffaello, Pirson, Wolfgang, Stalder, Henri

Journal:

Journal of Medicinal Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 156 KB

english, 2001

31

Design, Synthesis, and Evaluation of 2β-Alkenyl Penam Sulfone Acids as Inhibitors of β-Lactamases †

Richter, Hans G. F., Angehrn, Peter, Hubschwerlen, Christian, Kania, Malgosia, Page, Malcolm G. P., Specklin, Jean-Luc, Winkler, Fritz K.

Journal:

Journal of Medicinal Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 493 KB

english, 1996

32

Phenyl β-Methoxyacrylates: A New Antimalarial Pharmacophore

Alzeer, Jawad, Chollet, Jacques, Heinze-Krauss, Ingrid, Hubschwerlen, Christian, Matile, Hugues, Ridley, Robert G.

Journal:

Journal of Medicinal Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 367 KB

english, 2000

33

Potent Algicides Based on the Cyanobacterial Alkaloid Nostocarboline

Blom, Judith F., Brütsch, Tobias, Barbaras, Damien, Bethuel, Yann, Locher, Hans H., Hubschwerlen, Christian, Gademann, Karl

Journal:

Organic Letters

Année:

2006

Langue:

english

Fichier:

PDF, 67 KB

english, 2006

34

Structure-Based Design of β-Lactamase Inhibitors. 2. Synthesis and Evaluation of Bridged Sulfactams and Oxamazins

Hubschwerlen, Christian, Angehrn, Peter, Gubernator, Klaus, Page, Malcolm G. P., Specklin, Jean-Luc

Journal:

Journal of Medicinal Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 58 KB

english, 1998

35

Peptide Deformylase as an Antibacterial Drug Target: Target Validation and Resistance Development

Apfel, C. M., Locher, H., Evers, S., Takacs, B., Hubschwerlen, C., Pirson, W., Page, M. G. P., Keck, W.

Journal:

Antimicrobial Agents and Chemotherapy

Année:

2001

Langue:

english

Fichier:

PDF, 497 KB

english, 2001

36

Comprehensive Medicinal Chemistry II || β-Lactam Antibiotics

Hubschwerlen, C.

Année:

2007

Langue:

english

Fichier:

PDF, 632 KB

english, 2007

37

Antibacterial properties of Ro 40-6890, a broad-spectrum cephalosporin, and its novel orally absorbable ester, Ro 41-3399.

Angehrn, P, Hohl, P, Hubschwerlen, C, Page, M, Then, R

Journal:

Antimicrobial Agents and Chemotherapy

Année:

1992

Langue:

english

Fichier:

PDF, 1.40 MB

english, 1992

38

Methanopyrus kandleri Glutamyl-tRNA Reductase

Moser, J., Lorenz, S., Hubschwerlen, C., Rompf, A., Jahn, D.

Journal:

Journal of Biological Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 629 KB

english, 1999

39

Peptide Deformylase as an Antibacterial Drug Target: Assays for Detection of Its Inhibition in Escherichia coli Cell Homogenates and Intact Cells

Apfel, C. M., Evers, S., Hubschwerlen, C., Pirson, W., Page, M. G. P., Keck, W.

Journal:

Antimicrobial Agents and Chemotherapy

Année:

2001

Langue:

english

Fichier:

PDF, 811 KB

english, 2001

40

ChemInform Abstract: A Convenient Synthesis of L-(S)-Glyceraldehyde Acetonide from L-Ascorbic Acid.

HUBSCHWERLEN, C.

Journal:

Année:

1987

Fichier:

PDF, 144 KB

1987

41

Transport study of hydroxamic acid derivatives, novel inhibitors of bacterial peptide deformylase (PDF)

Hirata, Takahiro, Hubschwerlen, Christian, Pirson, Wolfgang, Locher, Hans, Page, Malcolm

Journal:

Biochemical Society Transactions

Année:

2000

Langue:

english

Fichier:

PDF, 149 KB

english, 2000

42

Orally active 2-(alkyloxycarbonyl)-2-alkylideneethyl esters of cephalosporins.

HUBSCHWERLEN, CHRISTIAN, CHARNAS, ROBERT, ANGEHRN, PETER, FURLENMEIER, ANDREAS, GRASER, THEODOR, MONTAVON, MARC

Journal:

The Journal of Antibiotics

Année:

1992

Langue:

english

Fichier:

PDF, 372 KB

english, 1992

43

Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents

Panchaud, Philippe, Bruyère, Thierry, Blumstein, Anne-Catherine, Bur, Daniel, Chambovey, Alain, Ertel, Eric A., Gude, Markus, Hubschwerlen, Christian, Jacob, Loïc, Kimmerlin, Thierry, Pfeifer, Thomas,

Journal:

Journal of Medicinal Chemistry

Année:

2017

Langue:

english

Fichier:

PDF, 1.56 MB

english, 2017

44

Estimation of Humidity During Tunnel Ventilation—Supported by TOUGH2 Calculations of Liquid, Vapor, and Heat Transport

Poppei, Joachim, Mayer, Gerhard, Hubschwerlen, Nicolas, Pépin, Guillaume, Wendling, Jacques

Journal:

Nuclear Technology

Année:

2011

Langue:

english

Fichier:

PDF, 658 KB

english, 2011

45

Extension and Tuning of TOUGH2-MP EOS7R for the Assessment of Deep Geological Repositories for Nuclear Waste: Hydrogen, Arbitrarily Long Decay Chains, and Solubility Limits

Kaempfer, Th. U., Mishin, Y., Brommundt, J., Roger, J., Treille, E., Hubschwerlen, N.

Journal:

Nuclear Technology

Année:

2014

Langue:

english

Fichier:

PDF, 4.75 MB

english, 2014

46

Optimizing the Modeling Performance for Safety Assessments of Nuclear Waste Repositories by Approximating Two-Phase Flow and Transport by Single-Phase Transport Simulations

Schaedle, Philipp, Hubschwerlen, Nicolas, Class, Holger

Journal:

Nuclear Technology

Année:

2014

Langue:

english

Fichier:

PDF, 1.33 MB

english, 2014

47

ChemInform Abstract: REACTION OF ENAMINES DERIVED FROM CYCLOHEXANONE WITH TETRACYANOETHYLENE

HUBSCHWERLEN, C., FLEURY, J.-P., FRITZ, H.

Journal:

Chemischer Informationsdienst

Année:

1978

Fichier:

PDF, 150 KB

1978

48

ChemInform Abstract: A Simple Enantioselective Synthesis of β-Lactams.

HUBSCHWERLEN, C., SCHMID, G.

Journal:

Chemischer Informationsdienst

Année:

1984

Fichier:

PDF, 108 KB

1984

49

ChemInform Abstract: HETEROCYCLIC DIENAMINES. II. CONDENSATION OF FISCHER′S BASE WITH SATURATED ALIPHATIC ALDEHYDES. FORMATION OF AZATRIENES

HUBSCHWERLEN, C., FLEURY, J.-P.

Journal:

Chemischer Informationsdienst

Année:

1977

Fichier:

PDF, 223 KB

1977

50

ChemInform Abstract: HETEROCYCLIC DIENAMINES III. RE-EXAMINATION OF THE REACTION OF FISCHER′S BASE WITH TETRACYANOETHYLENE

HUBSCHWERLEN, C., FLEURY, J.-P., FRITZ, H.

Journal:

Chemischer Informationsdienst

Année:

1977

Fichier:

PDF, 152 KB

1977