Andreas H. Göller: search on Z-Library

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1

Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies

Bauer, Christoph A., Schneider, Gisbert, Göller, Andreas H.

Journal:

Journal of Cheminformatics

Year:

2019

File:

PDF, 2.50 MB

2019

2

MetScore: Site of Metabolism Prediction Beyond CYP P450 Enzymes

Göller, Andreas Hans, Finkelmann, Arndt Robert, Goldmann, Daria, Schneider, Gisbert

Journal:

Year:

2018

Language:

english

File:

PDF, 1.59 MB

english, 2018

3

Does the estimation of the propensity score by machine learning improve matching estimation? The case of Germany's programmes for long term unemployed

Goller, Daniel, Lechner, Michael, Moczall, Andreas, Wolff, Joachim

Journal:

Labour Economics

Year:

2020

File:

PDF, 1.46 MB

2020

4

Correction to Semisynthetic Artemisinin, the Chemical Path to Industrial Production

Turconi, Joël, Griolet, Frédéric, Guevel, Ronan, Oddon, Gilles, Villa, Roberto, Geatti, Andrea, Hvala, Massimo, Rossen, Kai, Göller, Rudolf, Burgard, Andreas

Journal:

Organic Process Research & Development

Year:

2014

Language:

english

File:

PDF, 109 KB

english, 2014

5

Gaussian Process Regression Models for the Prediction of Hydrogen Bond Acceptor Strengths

Bauer, Christoph A., Schneider, Gisbert, Göller, Andreas H.

Journal:

Molecular Informatics

Year:

2018

Language:

english

File:

PDF, 2.36 MB

english, 2018

6

Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies

Bauer, Christoph A., Schneider, Gisbert, Göller, Andreas H.

Journal:

Journal of Cheminformatics

Year:

2019

Language:

english

File:

PDF, 2.50 MB

english, 2019

7

The biophysics of bird flight: functional relationships integrate aerodynamics, morphology, kinematics, muscles and sensors

Altshuler, Douglas L., Bahlman, Joe, Dakin, Roslyn, Gaede, Andrea H, Goller, Benjamin, Lentink, David, Segre, Paolo, Skandalis, Dimitri

Journal:

Canadian Journal of Zoology

Year:

2015

Language:

english

File:

PDF, 4.57 MB

english, 2015

8

Towards full Quantum-Mechanics-based Protein-Ligand Binding Affinities

Ehrlich, Stephan, Göller, Andreas H., Grimme, Stefan

Journal:

Year:

2017

Language:

english

File:

PDF, 13.71 MB

english, 2017

9

σ*-Aromaticity in Three-Membered Rings

Andreas Göller, Tim Clark

Journal:

Journal of Molecular Modeling

Year:

2000

Language:

english

File:

PDF, 225 KB

english, 2000

10

[IEEE 2020 IEEE International Conference on Mechatronics and Automation (ICMA) - Beijing, China (2020.10.13-2020.10.16)] 2020 IEEE International Conference on Mechatronics and Automation (ICMA) - Towards a Generic Manipulation Framework for Robots based on Model Predictive Interaction Control

Gold, Tobias, Lomakin, Alexander, Goller, Tim, Volz, Andreas, Graichen, Knut

Year:

2020

File:

PDF, 238 KB

2020

11

Semisynthetic Artemisinin, the Chemical Path to Industrial Production

Turconi, Joël, Griolet, Frédéric, Guevel, Ronan, Oddon, Gilles, Villa, Roberto, Geatti, Andrea, Hvala, Massimo, Rossen, Kai, Göller, Rudolf, Burgard, Andreas

Journal:

Organic Process Research & Development

Year:

2014

Language:

english

File:

PDF, 1.68 MB

english, 2014

12

Combining Cluster Analysis, Feature Selection and Multiple Support Vector Machine Models for the Identification of Human Ether-a-go-go Related Gene Channel Blocking Compounds

Britta Nisius, Andreas H. Göller, Jürgen Bajorath

Journal:

Chemical Biology & Drug Design

Year:

2009

Language:

english

File:

PDF, 693 KB

english, 2009

13

Triphenylphosphonioacetylide: A Species Isoelectronic with Isocyanides

Hans Jürgen Bestmann, Wilhelm Frank, Claus Moll, Andreas Pohlschmidt, Timothy Clark, Andreas Göller

Journal:

Angewandte Chemie International Edition

Year:

1998

Language:

english

File:

PDF, 225 KB

english, 1998

14

Model systems for rod-like polyheteroarylethynylenes

Andreas Göller, E. Klemm, D. A. M. Egbe

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 248 KB

english, 2001

15

ChemInform Abstract: The First Modular Route to Core-Chiral Bispidine Ligands and Their Application in Enantioselective Copper(II)-Catalyzed Henry Reactions.

Scharnagel, Dagmar, Mueller, Andreas, Prause, Felix, Eck, Martin, Goller, Jessica, Milius, Wolfgang, Breuning, Matthias

Journal:

Year:

2016

File:

PDF, 22 KB

2016

16

Volume to dissolve applied dose (VDAD) and apparent dissolution rate (ADR): Tools to predict in vivo bioavailability from orally applied drug suspensions

Uwe Muenster, Christian Pelzetter, Thomas Backensfeld, Andreas Ohm, Thomas Kuhlmann, Hartwig Mueller, Klemens Lustig, Jörg Keldenich, Susanne Greschat, Andreas H. Göller, Mark Jean Gnoth

Journal:

European Journal of Pharmaceutics and Biopharmaceutics

Year:

2011

Language:

english

File:

PDF, 558 KB

english, 2011

17

[IEEE 2011 IEEE International Symposium on Assembly and Manufacturing (ISAM) - Tampere, Finland (2011.05.25-2011.05.27)] 2011 IEEE International Symposium on Assembly and Manufacturing (ISAM) - Implementation of energy-related aspects into model-based design of processes and process chains

Schubert, Andreas, Goller, Sven, Sonntag, Daniel, Nestler, Andreas

Year:

2011

Language:

english

File:

PDF, 369 KB

english, 2011

18

Predicting drug metabolism: experiment and/or computation?

Kirchmair, Johannes, Göller, Andreas H., Lang, Dieter, Kunze, Jens, Testa, Bernard, Wilson, Ian D., Glen, Robert C., Schneider, Gisbert

Journal:

Nature Reviews Drug Discovery

Year:

2015

Language:

english

File:

PDF, 1.10 MB

english, 2015

19

Site of Metabolism Prediction Based on ab initio Derived Atom Representations

Finkelmann, Arndt R., Göller, Andreas H., Schneider, Gisbert

Journal:

Year:

2017

Language:

english

File:

PDF, 2.40 MB

english, 2017

20

Utility of protein structures in overcoming ADMET-related issues of drug-like compounds

Friederike Stoll, Andreas H. Göller, Alexander Hillisch

Journal:

Drug Discovery Today

Year:

2011

Language:

english

File:

PDF, 1.17 MB

english, 2011

21

Quarter micron BiCMOS technology platform with implanted-base- or SiGe-bipolar transistor for wireless communication ICs

Armin T. Tilke, Steffen Rothenhäußer, Markus Rochel, Knut Stahrenberg, Klaus Goller, Axel Junge, Andreas Pribil, Bernd Föste, Jörg Wiedemann, Martin Tegeler, Jörg Berkner, Cajetan Wagner, Claus Dahl

Journal:

Solid-State Electronics

Year:

2004

Language:

english

File:

PDF, 830 KB

english, 2004

22

Werner Marzi, Judentoleranz im Territorialstaat der Frühen Neuzeit. Judenschutz und Judenordnung in der Grafschaft Nassau-Wiesbaden-Idstein und im Fürstentum Nassau-Usingen

Göller, Andreas

Journal:

Zeitschrift der Savigny-Stiftung für Rechtsgeschichte. Germanistische Abteilung

Year:

2001

Language:

german

File:

PDF, 102 KB

german, 2001

23

Every Jack has His Jill: Finding a Target for Your Combinatorial Library

Slynko, Inna, Dreher, Jan KF, Goller, Andreas H

Journal:

Chemical Informatics

Year:

2018

File:

PDF, 909 KB

2018

24

Detailed energy decomposition of the rotational barrier in 2,2′-bipyridine: a density functional study

Andreas H. Göller, Ulrich-Walter Grummt

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 207 KB

english, 2002

25

Triphenylphosphonioacetylid: eine mit Isocyaniden isovalenzelektronische Spezies

Hans Jürgen Bestmann, Wilhelm Frank, Claus Moll, Andreas Pohlschmidt, Timothy Clark, Andreas Göller

Journal:

Angewandte Chemie

Year:

1998

Language:

german

File:

PDF, 169 KB

german, 1998

26

Limitations of the sum-over-states approach to second-order hyperpolarizabilities: para-nitroaniline and all-trans-1,3,5,7-octatetraene

Andreas H. Göller, Stefan Erhardt, Ulrich-Walter Grummt

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 467 KB

english, 2002

27

Evaluation of a new third-generation ARCHITECT rHTLV-I/II assay for blood screening and diagnosis

Hans-Peter Kapprell, Myriam Stieler, Michael Oer, Andreas Goller, Michael Hausmann, Gerald Schochetman, Sushil G. Devare, X. Qiu

Journal:

Diagnostic Microbiology and Infectious Disease

Year:

2010

Language:

english

File:

PDF, 645 KB

english, 2010

28

Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico p K a Prediction

Fraczkiewicz, Robert, Lobell, Mario, Göller, Andreas H., Krenz, Ursula, Schoenneis, Rolf, Clark, Robert D., Hillisch, Alexander

Journal:

Journal of Chemical Information and Modeling

Year:

2015

Language:

english

File:

PDF, 3.32 MB

english, 2015

29

Organophosphorus Compounds; 122. Alkylation of 1H-Phosphirenes with Triflates - Synthesis of λ5σ4-1H-Phosphirenium Cations

Heydt, Heinrich, Hoffmann, Jürgen, Göller, Andreas, Clark, Timothy, Regitz, Manfred

Journal:

Year:

1998

Language:

english

File:

PDF, 76 KB

english, 1998

30

Efficient Regioselective Synthesis of 6-Amino-5-benzoyl-1-Substituted 2(1 H )-Pyridinones

Schirok, Hartmut, Alonso-Alija, Cristina, Benet-Buchholz, Jordi, Göller, Andreas H., Grosser, Rolf, Michels, Martin, Paulsen, Holger

Journal:

Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 245 KB

english, 2005

31

1H-Phosphiranes and -enes invert at phosphorus via a turnstile rotation

Göller, Andreas, Clark, Timothy

Journal:

Chemical Communications

Year:

1997

Language:

english

File:

PDF, 208 KB

english, 1997

32

Neurons Responsive to Global Visual Motion Have Unique Tuning Properties in Hummingbirds

Gaede, Andrea H., Goller, Benjamin, Lam, Jessica P.M., Wylie, Douglas R., Altshuler, Douglas L.

Journal:

Current Biology

Year:

2017

Language:

english

File:

PDF, 3.54 MB

english, 2017

33

Organophosphorus Compounds, 118. Reactions of 1-Chloro-1H-phosphirenes with Nucleophiles

Heinrich Heydt, Michael Ehle, Steffen Haber, Jürgen Hoffmann, Oliver Wagner, Andreas Göller, Timothy Clark, Manfred Regitz

Journal:

European Journal of Inorganic Chemistry

Year:

1997

Language:

english

File:

PDF, 1.37 MB

english, 1997

34

Third generation autologous chondrocyte implantation is a good treatment option for athletic persons

Niethammer, Thomas Richard, Altmann, Daniel, Holzgruber, Martin, Goller, Sophia, Fischer, Andreas, MÃ¼ller, Peter Ernst

Journal:

Knee Surgery, Sports Traumatology, Arthroscopy

Year:

2020

File:

PDF, 785 KB

2020

35

Dataset overlap density analysis

Andreas H Göller

Journal:

Journal of Cheminformatics

Year:

2013

Language:

english

File:

PDF, 68 KB

english, 2013

36

In Silico Prediction of Buffer Solubility Based on Quantum-Mechanical and HQSAR- and Topology-Based Descriptors

Göller, Andreas H., Hennemann, Matthias, Keldenich, Jörg, Clark, Timothy

Journal:

Journal of Chemical Information and Modeling

Year:

2006

Language:

english

File:

PDF, 382 KB

english, 2006

37

The First Modular Route to Core-Chiral Bispidine Ligands and Their Application in Enantioselective Copper(II)-Catalyzed Henry Reactions

Scharnagel, Dagmar, Müller, Andreas, Prause, Felix, Eck, Martin, Goller, Jessica, Milius, Wolfgang, Breuning, Matthias

Journal:

Chemistry - A European Journal

Year:

2015

Language:

english

File:

PDF, 1.08 MB

english, 2015

38

The CD23b promoter is a target for NF-AT transcription factors in B-CLL cells

Christian Kneitz, Martin Goller, Hans-Peter Tony, Andreas Simon, Corinne Stibbe, Thomas König, Edgar Serfling, Andris Avots

Journal:

Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease

Year:

2002

Language:

english

File:

PDF, 315 KB

english, 2002

39

Results of combined vascular reconstruction and free flap transfer for limb salvage in patients with critical limb ischemia

Meyer, Alexander, Goller, Katja, Horch, Raymund E., Beier, Justus P., Taeger, Christian D., Arkudas, Andreas, Lang, Werner

Journal:

Journal of Vascular Surgery

Year:

2015

Language:

english

File:

PDF, 1.63 MB

english, 2015

40

Performance evaluation of the new fully automated human immunodeficiency virus antigen-antibody combination assay designed for blood screening

Eva Sickinger, Gesa Jonas, Alex W. Yem, Andreas Goller, Myriam Stieler, Catherine Brennan, Michael Hausmann, Gerald Schochetman, Sushil G. Devare, Jeffery C. Hunt, Hans-Peter Kapprell, Jane D. Bryant

Journal:

Transfusion (Wiley)

Year:

2008

Language:

english

File:

PDF, 144 KB

english, 2008

41

Transarterial chemoembolization for hepatocellular carcinoma

op den Winkel, Mark, Nagel, Dorothea, op den Winkel, Philip, Trojan, Jörg, Paprottka, Philipp M., Steib, Christian J., Schmidt, Laura, Göller, Markus, Stieber, Petra, Göhring, Peter, Herbst, Andreas,

Journal:

European Journal of Gastroenterology & Hepatology

Year:

2017

Language:

english

File:

PDF, 404 KB

english, 2017

42

Implementation of an NDDO/CI/SOS approach for second-order hyperpolarizabilities

Andreas Göller, Ulrich-Walter Grummt

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 438 KB

english, 2000

43

Local cerebral glucose utilization in perfusion-fixed rat brains

Andreas Wree, Hans-Joachim Goller, Thomas Beck

Journal:

Journal of Neuroscience Methods

Year:

1995

Language:

english

File:

PDF, 2.10 MB

english, 1995

44

Torsional barriers in biphenyl, 2,2′-bipyridine and 2-phenylpyridine

Andreas Göller, Ulrich-Walter Grummt

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 163 KB

english, 2000

45

σ*-Aromaticity of Substituted 1 H -Phosphirenium Cations and Substituted Silacyclopropenes †

Göller, Andreas, Heydt, Heinrich, Clark, Timothy

Journal:

Journal of Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 251 KB

english, 1996

46

Conformational Flexibility of Phycocyanobilin: An AM1 Semiempirical Study

Andreas H. Göller, Dietmar Strehlow, Gudrun Hermann

Journal:

Year:

2001

Language:

english

File:

PDF, 256 KB

english, 2001

47

CypScore: Quantitative Prediction of Reactivity toward Cytochromes P450 Based on Semiempirical Molecular Orbital Theory

Matthias Hennemann, Arno Friedl, Mario Lobell, Jörg Keldenich, Alexander Hillisch, Timothy Clark, Andreas H. Göller

Journal:

Year:

2009

Language:

english

File:

PDF, 1.13 MB

english, 2009

48

The Excited-State Chemistry of Phycocyanobilin: A Semiempirical Study

Andreas H. Göller, Dietmar Strehlow, Gudrun Hermann

Journal:

Year:

2005

Language:

english

File:

PDF, 356 KB

english, 2005

49

Effects of age, gender and occupation on perceived workplace learning support

Harteis, Christian, Billett, Stephen, Goller, Michael, Rausch, Andreas, Seifried, Jürgen

Journal:

International Journal of Training Research

Year:

2015

Language:

english

File:

PDF, 359 KB

english, 2015

50

Reliable and Performant Identification of Low-energy Conformers in Gas-phase and Water

Cavasin, Anna Theresa, Hillisch, Alexander, Uellendahl, Felix, Schneckener, Sebastian, Göller, Andreas H.

Journal:

Journal of Chemical Information and Modeling

Year:

2018

Language:

english

File:

PDF, 1.06 MB

english, 2018

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