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1

Design and application of implicit solvent models in biomolecular simulations

Kleinjung, Jens, Fraternali, Franca

Journal:

Current Opinion in Structural Biology

Year:

2014

Language:

english

File:

PDF, 488 KB

english, 2014

2

A practical analytic method for calculating $\pi (x)$

Franke, Jens, Kleinjung, Thorsten, Büthe, Jan, Jost, Alexander

Journal:

Mathematics of Computation

Year:

2017

Language:

english

File:

PDF, 280 KB

english, 2017

3

On the discrete logarithm problem in finite fields of fixed characteristic

Granger, Robert, Kleinjung, Thorsten, Zumbrägel, Jens

Journal:

Transactions of the American Mathematical Society

Year:

2017

Language:

english

File:

PDF, 287 KB

english, 2017

4

The third-dimensional structure of the complex between an Fv antibody fragment and an analogue of the main immunogenic region of the acetylcholine receptor: A combined two-dimensional NMR, homology, and molecular modeling approach

Jens Kleinjung, Marie-Christine Petit, Piotr Orlewski, Avgi Mamalaki, Socrates J. Tzartos, Vassilios Tsikaris, Maria Sakarellos-Daitsiotis, Constantinos Sakarellos, Michel Marraud, Manh-Thong Cung

Journal:

Year:

2000

Language:

english

File:

PDF, 351 KB

english, 2000

5

Interaktion einer PDZ-Proteindomäne mit einer synthetischen Bibliothek aller C-Termini humaner Proteine

Ulrich Hoffmüller, Michael Russwurm, Frank Kleinjung, Jennifer Ashurst, Hartmut Oschkinat, Rudolf Volkmer-Engert, Doris Koesling, Jens Schneider-Mergener

Journal:

Angewandte Chemie

Year:

1999

File:

PDF, 138 KB

1999

6

Interaction of a PDZ Protein Domain with a Synthetic Library of All Human Protein C Termini

Ulrich Hoffmüller, Michael Russwurm, Frank Kleinjung, Jennifer Ashurst, Hartmut Oschkinat, Rudolf Volkmer-Engert, Doris Koesling, Jens Schneider-Mergener

Journal:

Angewandte Chemie International Edition

Year:

1999

Language:

english

File:

PDF, 135 KB

english, 1999

7

Testing homology with Contact Accepted mutatiOn (CAO): a contact-based Markov model of protein evolution

Kuang Lin, Jens Kleinjung, William R Taylor, Jaap Heringa

Journal:

Computational Biology and Chemistry

Year:

2003

Language:

english

File:

PDF, 1.51 MB

english, 2003

8

Thermal unfolding simulations of apo-calmodulin using leap-dynamics

Jens Kleinjung, Franca Fraternali, Stephen R. Martin, Peter M. Bayley

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2003

Language:

english

File:

PDF, 667 KB

english, 2003

9

Interaction of malaria parasite-inhibitory antibodies with the merozoite surface protein MSP119 by computational docking

Flavia Autore, Sara Melchiorre, Jens Kleinjung, William D. Morgan, Franca Fraternali

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2007

Language:

english

File:

PDF, 651 KB

english, 2007

10

New Recognition Elements in Biosensing

FRIEDER W. SCHELLER, FRANK KLEINJUNG, FRANK F. BIER, ALEXANDER MAKOWER, BARBARA NEUMANN, ULLA WOLLENBERGER, ILIYA KUROCHKIN, ARKADI EREMENKO, ANATOLI BARMIN, SVEN KLUβMANN, JENS-PETER FÜRSTE, VOLKER A

Journal:

Annals of the New York Academy of Sciences

Year:

1998

Language:

english

File:

PDF, 343 KB

english, 1998

11

Conformational and metal-binding properties of androcam, a testis-specific, calmodulin-related protein from drosophila

Stephen R. Martin, Jens Kleinjung, Peter M. Bayley, Alan Q. Lu, Jie Xiao, Kathy Beckingham

Journal:

Protein Science

Year:

1999

Language:

english

File:

PDF, 433 KB

english, 1999

12

Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations

Kleinjung, Jens, Scott, Walter R. P., Allison, Jane R., van Gunsteren, Wilfred F., Fraternali, Franca

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 786 KB

english, 2012

13

A heterogeneous computing environment to solve the 768-bit RSA challenge

Thorsten Kleinjung, Joppe W. Bos, Arjen K. Lenstra, Dag Arne Osvik, Kazumaro Aoki, Scott Contini, Jens Franke, Emmanuel Thomé, Pascal Jermini, Michela Thiémard, Paul Leyland, Peter L. Montgomery, Andr

Journal:

Cluster Computing

Year:

2012

Language:

english

File:

PDF, 558 KB

english, 2012

14

Structural alphabets derived from attractors in conformational space

Alessandro Pandini, Arianna Fornili, Jens Kleinjung

Journal:

BMC Bioinformatics

Year:

2010

Language:

english

File:

PDF, 1.33 MB

english, 2010

15

Leap-dynamics: efficient sampling of conformational space of proteins and peptides in solution

Jens Kleinjung, Peter Bayley, Franca Fraternali

Journal:

Year:

2000

Language:

english

File:

PDF, 607 KB

english, 2000

16

Photoreactive insulin derivatives for the detection of the doubly labeled insulin receptor☆

Jens Kleinjung, Marlies Fabry

Journal:

Year:

2000

Language:

english

File:

PDF, 203 KB

english, 2000

17

Plasticity of Influenza Haemagglutinin Fusion Peptides and Their Interaction with Lipid Bilayers

Vaccaro, Loredana, Cross, Karen J., Kleinjung, Jens, Straus, Suzana K., Thomas, David J., Wharton, Stephen A., Skehel, John J., Fraternali, Franca

Journal:

Biophysical Journal

Year:

2005

Language:

english

File:

PDF, 1.03 MB

english, 2005

18

Decrypting Prion Protein Conversion into a β-Rich Conformer by Molecular Dynamics

Chakroun, Nesrine, Fornili, Arianna, Prigent, Stéphanie, Kleinjung, Jens, Dreiss, Cécile A., Rezaei, Human, Fraternali, Franca

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.30 MB

english, 2013

19

Some applications of the Weil-Barner explicit formula

Büthe, J., Franke, Jens, Jost, Alexander, Kleinjung, Thorsten

Journal:

Mathematische Nachrichten

Year:

2013

Language:

english

File:

PDF, 173 KB

english, 2013

20

Detection of Allosteric Signal Transmission by Information-Theoretic Analysis of Protein Dynamics

Pandini, Alessandro, Fornili, Arianna, Fraternali, Franca, Kleinjung, Jens

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 60 KB

english, 2012

21

Gsatools: Analysis of Allosteric Communication and Functional Local Motions using a Structural Alphabet

Pandini, Alessandro, Fornili, Arianna, Fraternali, Franca, Kleinjung, Jens

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 39 KB

english, 2014

22

Specific Conformational States of Ras GTPase upon Effector Binding

Baussand, Julie, Kleinjung, Jens

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.65 MB

english, 2013

23

Urea–Water Solvation Forces on Prion Structures

Kleinjung, Jens, Fraternali, Franca

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 4.11 MB

english, 2012

24

The Crystal Structure of the Human Titin:Obscurin Complex Reveals a Conserved yet Specific Muscle M-Band Zipper Module

Pernigo, Stefano, Fukuzawa, Atsushi, Pandini, Alessandro, Holt, Mark, Kleinjung, Jens, Gautel, Mathias, Steiner, Roberto A.

Journal:

Journal of Molecular Biology

Year:

2015

Language:

english

File:

PDF, 3.42 MB

english, 2015

25

In Vitro Generation of Neuromesodermal Progenitors Reveals Distinct Roles for Wnt Signalling in the Specification of Spinal Cord and Paraxial Mesoderm Identity

Gouti, Mina, Tsakiridis, Anestis, Wymeersch, Filip J., Huang, Yali, Kleinjung, Jens, Wilson, Valerie, Briscoe, James, Nusse, Roel

Journal:

Year:

2014

Language:

english

File:

PDF, 1.90 MB

english, 2014

26

P-21: Studies on insulin and IGF-I receptors with specific probes of the ligands

Fabry, Marlies, Kleinjung, Jens, Thevis, Willi, Engels, Ulrike, Brandenburg, Dietrich

Journal:

Experimental and Clinical Endocrinology & Diabetes

Year:

1996

Language:

english

File:

PDF, 16 KB

english, 1996

27

The Phylogenetic Signature Underlying ATP Synthase c-Ring Compliance

Pandini, Alessandro, Kleinjung, Jens, Taylor, Willie R., Junge, Wolfgang, Khan, Shahid

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 2.69 MB

english, 2015

28

Effect of thyroid hormone binding proteins on insulin receptor binding of B1-thyronine-insulin analogues

SHOJAEE-MORADIE, Fariba, CHAN, Michelle P. Y., TELFER, Micayla A., BRANDENBURG, Dietrich, SUNDERMANN, Erik, ECKEY, Heike, KLEINJUNG, Jens, SCHÜTTLER, Achim, JONES, Richard H.

Journal:

Biochemical Journal

Year:

2004

Language:

english

File:

PDF, 330 KB

english, 2004

29

A Gene Regulatory Network Balances Neural and Mesoderm Specification during Vertebrate Trunk Development

Gouti, Mina, Delile, Julien, Stamataki, Despina, Wymeersch, Filip J., Huang, Yali, Kleinjung, Jens, Wilson, Valerie, Briscoe, James

Journal:

Developmental Cell

Year:

2017

Language:

english

File:

PDF, 7.87 MB

english, 2017

30

Lineage-dependent spatial and functional organization of the mammalian enteric nervous system

Lasrado, Reena, Boesmans, Werend, Kleinjung, Jens, Pin, Carmen, Bell, Donald, Bhaw, Leena, McCallum, Sarah, Zong, Hui, Luo, Liqun, Clevers, Hans, Vanden Berghe, Pieter, Pachnis, Vassilis

Journal:

Year:

2017

Language:

english

File:

PDF, 1.29 MB

english, 2017

31

An engineered photoswitchable mammalian pyruvate kinase

Gehrig, Stefanie, Macpherson, Jamie A., Driscoll, Paul C., Symon, Alastair, Martin, Stephen R., MacRae, James I., Kleinjung, Jens, Fraternali, Franca, Anastasiou, Dimitrios

Journal:

Year:

2017

Language:

english

File:

PDF, 1.46 MB

english, 2017

32

Membrane Docking Geometry of GRP1 PH Domain Bound to a Target Lipid Bilayer: An EPR Site-Directed Spin-Labeling and Relaxation Study

Chen, Huai-Chun, Ziemba, Brian P., Landgraf, Kyle E., Corbin, John A., Falke, Joseph J., Kleinjung, Jens

Journal:

Year:

2012

Language:

english

File:

PDF, 704 KB

english, 2012

33

Identification of Potential Small Molecule Binding Pockets on Rho Family GTPases

Ortiz-Sanchez, Juan Manuel, Nichols, Sara E., Sayyah, Jacqueline, Brown, Joan Heller, McCammon, J. Andrew, Grant, Barry J., Kleinjung, Jens

Journal:

Year:

2012

Language:

english

File:

PDF, 1.60 MB

english, 2012

34

Structural and Functional Analysis of Multi-Interface Domains

Zhao, Liang, Hoi, Steven C. H., Wong, Limsoon, Hamp, Tobias, Li, Jinyan, Kleinjung, Jens

Journal:

Year:

2012

Language:

english

File:

PDF, 1.19 MB

english, 2012

35

Detecting Protein Candidate Fragments Using a Structural Alphabet Profile Comparison Approach

Shen, Yimin, Picord, Géraldine, Guyon, Frédéric, Tuffery, Pierre, Kleinjung, Jens

Journal:

Year:

2013

Language:

english

File:

PDF, 2.50 MB

english, 2013

36

Protein Complex Identification by Integrating Protein-Protein Interaction Evidence from Multiple Sources

Xu, Bo, Lin, Hongfei, Chen, Yang, Yang, Zhihao, Liu, Hongfang, Kleinjung, Jens

Journal:

Year:

2013

Language:

english

File:

PDF, 2.23 MB

english, 2013

37

3D Structure Prediction of Human β1-Adrenergic Receptor via Threading-Based Homology Modeling for Implications in Structure-Based Drug Designing

Ul-Haq, Zaheer, Saeed, Maria, Halim, Sobia Ahsan, Khan, Waqasuddin, Kleinjung, Jens

Journal:

Year:

2015

Language:

english

File:

PDF, 1.12 MB

english, 2015

38

Coevolved Mutations Reveal Distinct Architectures for Two Core Proteins in the Bacterial Flagellar Motor

Pandini, Alessandro, Kleinjung, Jens, Rasool, Shafqat, Khan, Shahid, Roujeinikova, Anna

Journal:

Year:

2015

Language:

english

File:

PDF, 9.63 MB

english, 2015