Knapp, Ernst-Walter: search on Z-Library

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1

Multivalency as a Chemical Organization and Action Principle

Dr. Carlo Fasting, Prof. Christoph A. Schalley, Dr. Marcus Weber, Prof. Oliver Seitz, Prof. Stefan Hecht, Prof. Beate Koksch, Dr. Jens Dernedde, Prof. Christina Graf, Prof. Ernst-Walter Knapp, Prof. R

Journal:

Angewandte Chemie International Edition

Year:

2012

Language:

english

File:

PDF, 7.40 MB

english, 2012

2

Accurate redox potentials of mononuclear iron, manganese, and nickel model complexes*

Artur Galstyan, Ernst-Walter Knapp

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 133 KB

english, 2009

3

Energetics of the loop-to-helix transition leading to the coiled-coil structure of influenza virus hemagglutinin HA2 subunits

Qiang Huang, Thomas Korte, P. Sivaramakrishna Rachakonda, Ernst-Walter Knapp, Andreas Herrmann

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2009

Language:

english

File:

PDF, 414 KB

english, 2009

4

Retraction: The reductive phase of Rhodobacter sphaeroides cytochrome c oxidase disentangled by CO ligation

Mohrmann, Hendrik, Dragelj, Jovan, Baserga, Federico, Knapp, Ernst-Walter, Stripp, Sven T., Heberle, Joachim

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.27 MB

english, 2017

5

Cover Picture: Multivalency as a Chemical Organization and Action Principle (Angew. Chem. Int. Ed. 42/2012)

Fasting, Carlo, Schalley, Christoph A., Weber, Marcus, Seitz, Oliver, Hecht, Stefan, Koksch, Beate, Dernedde, Jens, Graf, Christina, Knapp, Ernst-Walter, Haag, Rainer

Journal:

Angewandte Chemie International Edition

Year:

2012

Language:

english

File:

PDF, 1.24 MB

english, 2012

6

Lysine 362 in cytochrome c oxidase regulates opening of the K-channel via changes in pKA and conformation

Woelke, Anna Lena, Galstyan, Gegham, Knapp, Ernst-Walter

Journal:

Biochimica et Biophysica Acta (BBA) - Bioenergetics

Year:

2014

Language:

english

File:

PDF, 1013 KB

english, 2014

7

Models for Self-Avoiding Polymer Chains on the Tetrahedral Lattice

Dietschreit, Johannes, Diestler, Dennis J., Knapp, Ernst-Walter

Journal:

Macromolecular Theory and Simulations

Year:

2014

Language:

english

File:

PDF, 710 KB

english, 2014

8

Influence of Heterogeneity on the Ultrafast Photoisomerization Dynamics of Pfr in Cph1 Phytochrome

Stensitzki, Till, Yang, Yang, Wölke, Anna Lena, Knapp, Ernst-Walter, Hughes, Jon, Mroginski, Maria Andrea, Heyne, Karsten

Journal:

Photochemistry and Photobiology

Year:

2017

Language:

english

File:

PDF, 569 KB

english, 2017

9

Unfolding of the cold shock protein studied with biased molecular dynamics

Giulia Morra, Milan Hodoscek, Ernst-Walter Knapp

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2003

Language:

english

File:

PDF, 365 KB

english, 2003

10

Electron Transfer between the Quinones in the Photosynthetic Reaction Center and Its Coupling to Conformational Changes †

Rabenstein, Björn, Ullmann, G. Matthias, Knapp, Ernst-Walter

Journal:

Year:

2000

Language:

english

File:

PDF, 89 KB

english, 2000

11

Structural alignment of ferredoxin and flavodoxin based on electrostatic potentials: Implications for their interactions with photosystem I and ferredoxin-NADP reductase

G. Matthias Ullmann, Markus Hauswald, Axel Jensen, Ernst-Walter Knapp

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2000

Language:

english

File:

PDF, 294 KB

english, 2000

12

Protonation States of Ammonia/Ammonium in the Hydrophobic Pore of Ammonia Transporter Protein AmtB

Ishikita, Hiroshi, Knapp, Ernst-Walter

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 117 KB

english, 2007

13

Redox Potential of Quinones in Photosynthetic Reaction Centers from Rhodobacter sphaeroides : Dependence on Protonation of Glu-L212 and Asp-L213 †

Ishikita, Hiroshi, Morra, Giulia, Knapp, Ernst-Walter

Journal:

Year:

2003

Language:

english

File:

PDF, 179 KB

english, 2003

14

Redox Potentials of Chlorophylls and β-Carotene in the Antenna Complexes of Photosystem II

Ishikita, Hiroshi, Knapp, Ernst-Walter

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 207 KB

english, 2005

15

ProPairs: A Data Set for Protein–Protein Docking

Krull, Florian, Korff, Gerrit, Elghobashi-Meinhardt, Nadia, Knapp, Ernst-Walter

Journal:

Journal of Chemical Information and Modeling

Year:

2015

Language:

english

File:

PDF, 13.40 MB

english, 2015

16

Merging Structural Information from X-ray Crystallography, Quantum Chemistry and EXAFS Spectra: The Oxygen Evolving Complex in PSII

Chernev, Petko, Zaharieva, Ivelina, Rossini, Emanuele, Galstyan, Artur, Dau, Holger, Knapp, Ernst-Walter

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 1.63 MB

english, 2016

17

DemQSAR: predicting human volume of distribution and clearance of drugs

Ozgur Demir-Kavuk, Jörg Bentzien, Ingo Muegge, Ernst-Walter Knapp

Journal:

Journal of Computer-Aided Molecular Design

Year:

2011

Language:

english

File:

PDF, 660 KB

english, 2011

18

Tuning electron transfer by ester-group of chlorophylls in bacterial photosynthetic reaction center

Hiroshi Ishikita, Bernhard Loll, Jacek Biesiadka, Artur Galstyan, Wolfram Saenger, Ernst-Walter Knapp

Journal:

Year:

2005

Language:

english

File:

PDF, 151 KB

english, 2005

19

Titelbild: Multivalenz als chemisches Organisations- und Wirkprinzip (Angew. Chem. 42/2012)

Fasting, Carlo, Schalley, Christoph A., Weber, Marcus, Seitz, Oliver, Hecht, Stefan, Koksch, Beate, Dernedde, Jens, Graf, Christina, Knapp, Ernst-Walter, Haag, Rainer

Journal:

Angewandte Chemie

Year:

2012

Language:

german

File:

PDF, 1.24 MB

german, 2012

20

Recent advances in anion–π interactions

Robertazzi, Arturo, Krull, Florian, Knapp, Ernst-Walter, Gamez, Patrick

Journal:

Year:

2011

Language:

english

File:

PDF, 546 KB

english, 2011

21

Factors Determining the Orientation of Axially Coordinated Imidazoles in Heme Proteins †

Zarić, Snežana D., Popović, Dragan M., Knapp, Ernst-Walter

Journal:

Year:

2001

Language:

english

File:

PDF, 160 KB

english, 2001

22

Protein dynamics with off-lattice Monte Carlo moves

Hoffmann, Daniel, Knapp, Ernst-Walter

Journal:

Physical Review E

Year:

1996

File:

PDF, 791 KB

1996

23

Computing pKA values in different solvents by electrostatic transformation

Rossini, Emanuele, Netz, Roland R., Knapp, Ernst-Walter

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 874 KB

english, 2016

24

Accurate pKa Determination for a Heterogeneous Group of Organic Molecules

Marcel Schmidt am Busch, Ernst-Walter Knapp

Journal:

Year:

2004

Language:

english

File:

PDF, 202 KB

english, 2004

25

Novel protein folds and their nonsequential structural analogs

Aysam Guerler, Ernst-Walter Knapp

Journal:

Protein Science

Year:

2008

Language:

english

File:

PDF, 455 KB

english, 2008

26

Contributions of the Protein Environment to the Midpoint Potentials of the A 1 Phylloquinones and the F X Iron−Sulfur Cluster in Photosystem I †

Karyagina, Irina, Pushkar, Yulia, Stehlik, Dietmar, van der Est, Art, Ishikita, Hiroshi, Knapp, Ernst-Walter, Jagannathan, Bharat, Agalarov, Rufat, Golbeck, John H.

Journal:

Year:

2007

Language:

english

File:

PDF, 476 KB

english, 2007

27

Folding Pathways of a Helix−Turn−Helix Model Protein

Hoffmann, Daniel, Knapp, Ernst-Walter

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 262 KB

english, 1997

28

A molecular docking study of estrogenically active compounds with 1,2-diarylethane and 1,2-diarylethene pharmacophores

Peter M. Kekenes-Huskey, Ingo Muegge, Moriz von Rauch, Ronald Gust, Ernst-Walter Knapp

Journal:

Bioorganic & Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 466 KB

english, 2004

29

Understanding Rubredoxin Redox Potentials: Role of H-Bonds on Model Complexes

Gámiz-Hernández, Ana Patricia, Galstyan, Artur S., Knapp, Ernst-Walter

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 1.95 MB

english, 2009

30

Erratum: Proton solvation in protic and aprotic solvents [J. Comput. Chem. 2015, 37, 1082-1091]

Rossini, Emanuele, Knapp, Ernst-Walter

Journal:

Journal of Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 115 KB

english, 2016

31

The Deacylation Step of Acetylcholinesterase: Computer Simulation Studies

Vagedes, Peter, Rabenstein, Björn, Åqvist, Johan, Marelius, John, Knapp, Ernst-Walter

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 120 KB

english, 2000

32

Exploring the Possible Role of Glu286 in C c O by Electrostatic Energy Computations Combined with Molecular Dynamics

Woelke, Anna Lena, Galstyan, Gegham, Galstyan, Artur, Meyer, Tim, Heberle, Joachim, Knapp, Ernst-Walter

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 2.75 MB

english, 2013

33

One-Electron Reduction Potential for Oxygen- and Sulfur-Centered Organic Radicals in Protic and Aprotic Solvents

Schmidt am Busch, Marcel, Knapp, Ernst-Walter

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 90 KB

english, 2005

34

[IMPERIAL COLLEGE PRESS Proceedings of the 9th Annual International Workshop on Bioinformatics and Systems Biology (IBSB 2009) - Boston University, Boston, USA (27 – 29 July 2009)] Genome Informatics 2009 - STRATEGIES OF NON-SEQUENTIAL PROTEIN STRUCTURE ALIGNMENTS

GUERLER, AYSAM, KNAPP, ERNST-WALTER

Language:

english

File:

PDF, 1.53 MB

english

35

Optimizing pKA computation in proteins with pH adapted conformations

Gernot Kieseritzky, Ernst-Walter Knapp

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2008

Language:

english

File:

PDF, 341 KB

english, 2008

36

Proton Transfer in the K-Channel Analog of B-Type Cytochrome c Oxidase from Thermus thermophilus

Woelke, Anna Lena, Wagner, Anke, Galstyan, Gegham, Meyer, Tim, Knapp, Ernst-Walter

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 1.12 MB

english, 2014

37

Connectivity independent protein-structure alignment: a hierarchical approach

Bjoern Kolbeck, Patrick May, Tobias Schmidt-Goenner, Thomas Steinke, Ernst-Walter Knapp

Journal:

BMC Bioinformatics

Year:

2006

Language:

english

File:

PDF, 5.47 MB

english, 2006

38

Calculated pH-Dependent Population and Protonation of Carbon-Monoxy-Myoglobin Conformers

Rabenstein, Björn, Knapp, Ernst-Walter

Journal:

Biophysical Journal

Year:

2001

Language:

english

File:

PDF, 252 KB

english, 2001

39

Symmetric Structures in the Universe of Protein Folds

Guerler, Aysam, Wang, Connie, Knapp, Ernst-Walter

Journal:

Journal of Chemical Information and Modeling

Year:

2009

Language:

english

File:

PDF, 2.02 MB

english, 2009

40

Computational Simulation and Analysis of Dynamic Association between Plastocyanin and Cytochrome f . Consequences for the Electron-Transfer Reaction

Ullmann, G. Matthias, Knapp, Ernst-Walter, Kostić, Nenad M.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 316 KB

english, 1997

41

Optimized distance-dependent atom-pair-based potential DOOP for protein structure prediction

Chae, Myong-Ho, Krull, Florian, Knapp, Ernst-Walter

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2015

Language:

english

File:

PDF, 1.62 MB

english, 2015

42

3P-271 Exploring the energetics of electron transfer events in photosynthetic reaction centers by electrostatic energy computations(The 46th Annual Meeting of the Biophysical Society of Japan)

Ishikita, Hiroshi, Knapp, Ernst-Walter

Journal:

Seibutsu Butsuri

Year:

2008

Language:

english

File:

PDF, 277 KB

english, 2008

43

Function of Redox-Active Tyrosine in Photosystem II

Ishikita, Hiroshi, Knapp, Ernst-Walter

Journal:

Biophysical Journal

Year:

2006

Language:

english

File:

PDF, 315 KB

english, 2006

44

PSII manganese cluster: Protonation of W2, O5, O4 and His337 in the S1 state

Knapp, Ernst-Walter, Robertazzi, Arturo, Galstyan, Artur

Journal:

Biochimica et Biophysica Acta (BBA) - Bioenergetics

Year:

2014

Language:

english

File:

PDF, 45 KB

english, 2014

45

Control of Quinone Redox Potentials in Photosystem II: Electron Transfer and Photoprotection

Ishikita, Hiroshi, Knapp, Ernst-Walter

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 187 KB

english, 2005

46

Computing p K A values of hexa-aqua transition metal complexes

Galstyan, Gegham, Knapp, Ernst-Walter

Journal:

Journal of Computational Chemistry

Year:

2015

Language:

english

File:

PDF, 540 KB

english, 2015

47

Mechanical Rupture of Mono- and Bivalent Transition Metal Complexes in Experiment and Theory

Gensler, Manuel, Eidamshaus, Christian, Galstyan, Arthur, Knapp, Ernst-Walter, Reissig, Hans-Ulrich, Rabe, Jürgen P.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.24 MB

english, 2015

48

Protonation equilibria of transition metal complexes: From model systems toward the Mn-complex in photosystem II

Rossini, Emanuele, Knapp, Ernst-Walter

Journal:

Coordination Chemistry Reviews

Year:

2017

Language:

english

File:

PDF, 1.24 MB

english, 2017

49

Predicting protein complex geometries with a neural network

Myong-Ho Chae, Florian Krull, Stephan Lorenzen, Ernst-Walter Knapp

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2010

Language:

english

File:

PDF, 911 KB

english, 2010

50

Stability and fluctuations of amide hydrogen bonds in a bacterial cytochromec: a molecular dynamics study

Gernot Kieseritzky, Giulia Morra, Ernst-Walter Knapp

Journal:

JBIC Journal of Biological Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 516 KB

english, 2006

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