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There are 19344 results for: content related to: Predicting the open conformations of protein kinases using molecular dynamics simulations

  1. Conformational selection of protein kinase A revealed by flexible-ligand flexible-protein docking

    Journal of Computational Chemistry

    Volume 30, Issue 4, March 2009, Pages: 631–644, Zunnan Huang and Chung F. Wong

    Article first published online : 18 AUG 2008, DOI: 10.1002/jcc.21090

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    Crystal structure of the E230Q mutant of cAMP-dependent protein kinase reveals an unexpected apoenzyme conformation and an extended N-terminal A helix

    Protein Science

    Volume 14, Issue 11, November 2005, Pages: 2871–2879, Jian Wu, Jie Yang, Natarajan Kannan, Madhusudan, Nguyen-Huu Xuong, Lynn F. Ten Eyck and Susan S. Taylor

    Article first published online : 1 JAN 2009, DOI: 10.1110/ps.051715205

  3. Protein domain assignment from the recurrence of locally similar structures

    Proteins: Structure, Function, and Bioinformatics

    Volume 79, Issue 3, March 2011, Pages: 853–866, Chin-Hsien Tai, Vichetra Sam, Jean-Francois Gibrat, Jean Garnier, Peter J. Munson and Byungkook Lee

    Article first published online : 22 DEC 2010, DOI: 10.1002/prot.22923

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    An interaction-based analysis of calcium-induced conformational changes in Ca2+ sensor proteins

    Protein Science

    Volume 7, Issue 2, February 1998, Pages: 270–282, Melanie R. Nelson and Walter J. Chazin

    Article first published online : 31 DEC 2008, DOI: 10.1002/pro.5560070206

  5. E230Q mutation of the catalytic subunit of cAMP-dependent protein kinase affects local structure and the binding of peptide inhibitor


    Volume 81, Issue 6, 15 April 2006, Pages: 428–439, Man-Un Ung, Benzhuo Lu and J. A. McCammon

    Article first published online : 19 DEC 2005, DOI: 10.1002/bip.20434

  6. Flap flexibility amongst plasmepsins I, II, III, IV, and V: Sequence, structural, and molecular dynamics analyses

    Proteins: Structure, Function, and Bioinformatics

    Volume 83, Issue 9, September 2015, Pages: 1693–1705, Lara McGillewie and Mahmoud E. Soliman

    Article first published online : 1 AUG 2015, DOI: 10.1002/prot.24855

  7. Structural Models for the Design of PKMzeta Inhibitors with Neurobiological Indications

    Molecular Informatics

    Volume 34, Issue 10, October 2015, Pages: 665–678, Priyanka Purkayastha, Reshma Alokam, Aruna Malapati, Dharmarajan Sriram and Perumal Yogeeswari

    Article first published online : 14 SEP 2015, DOI: 10.1002/minf.201500003

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    Identification and characterization of α1-antitrypsin in fibrin clots

    Journal of Thrombosis and Haemostasis

    Volume 11, Issue 7, July 2013, Pages: 1319–1328, S. Talens, J. J. M. C. Malfliet, P. Th. W. van Hal, F. W. G. Leebeek and D. C. Rijken

    Article first published online : 15 JUL 2013, DOI: 10.1111/jth.12288

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    Structural determinants stabilizing the axial channel of ClpP for substrate translocation

    Molecular Microbiology

    Volume 90, Issue 1, October 2013, Pages: 167–180, John Alexopoulos, Bilal Ahsan, Lopamudra Homchaudhuri, Nabiha Husain, Yi-Qiang Cheng and Joaquin Ortega

    Article first published online : 23 AUG 2013, DOI: 10.1111/mmi.12356

  10. Integrin activation and structural rearrangement

    Immunological Reviews

    Volume 186, Issue 1, August 2002, Pages: 141–163, Junichi Takagi and Timothy A. Springer

    Article first published online : 18 SEP 2002, DOI: 10.1034/j.1600-065X.2002.18613.x

  11. Complete catalytic cycle of cofactor-independent phosphoglycerate mutase involves a spring-loaded mechanism

    FEBS Journal

    Volume 282, Issue 6, March 2015, Pages: 1097–1110, Amlan Roychowdhury, Anirban Kundu, Madhuparna Bose, Akanksha Gujar, Somnath Mukherjee and Amit Kumar Das

    Article first published online : 6 FEB 2015, DOI: 10.1111/febs.13205

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    Requirement of lid2 for interfacial activation of a family I.3 lipase with unique two lid structures

    FEBS Journal

    Volume 279, Issue 19, October 2012, Pages: 3727–3737, Maria Cheng, Clement Angkawidjaja, Yuichi Koga and Shigenori Kanaya

    Article first published online : 31 AUG 2012, DOI: 10.1111/j.1742-4658.2012.08734.x

  13. High-resolution structure of human phosphoserine phosphatase in open conformation

    Acta Crystallographica Section D

    Volume 59, Issue 6, June 2003, Pages: 971–977, Yves Peeraer, Anja Rabijns, Christel Verboven, Jean-François Collet, Emile Van Schaftingen and Camiel De Ranter

    DOI: 10.1107/S0907444903005407

  14. Dynamic flaps in HIV-1 protease adopt unique ordering at different stages in the catalytic cycle

    Proteins: Structure, Function, and Bioinformatics

    Volume 79, Issue 6, June 2011, Pages: 1830–1840, Suresh Karthik and Sanjib Senapati

    Article first published online : 4 APR 2011, DOI: 10.1002/prot.23008

  15. Alpha-1-antitrypsin is produced by human neutrophil granulocytes and their precursors and liberated during granule exocytosis

    European Journal of Haematology

    Volume 86, Issue 6, June 2011, Pages: 517–530, Stine N. Clemmensen, Lars C. Jacobsen, Sara Rørvig, Bjarke Askaa, Karin Christenson, Martin Iversen, Marianne H. Jørgensen, Maria T. Larsen, Bo van Deurs, Ole Østergaard, Niels H. Heegaard, Jack B. Cowland and Niels Borregaard

    Article first published online : 17 MAY 2011, DOI: 10.1111/j.1600-0609.2011.01601.x

  16. Dynamics of β3 integrin I-like and hybrid domains: Insight from simulations on the mechanism of transition between open and closed forms

    Proteins: Structure, Function, and Bioinformatics

    Volume 76, Issue 4, September 2009, Pages: 977–994, Thomas Gaillard, Annick Dejaegere and Roland H. Stote

    Article first published online : 10 FEB 2009, DOI: 10.1002/prot.22404

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    Human mesotrypsin exhibits restricted S1′ subsite specificity with a strong preference for small polar side chains

    FEBS Journal

    Volume 273, Issue 13, July 2006, Pages: 2942–2954, Edit Szepessy and Miklós Sahin-Tóth

    Article first published online : 5 JUN 2006, DOI: 10.1111/j.1742-4658.2006.05305.x

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    Quantitative isolation of α1AT mutant Z protein polymers from human and mouse livers and the effect of heat


    Volume 41, Issue 1, January 2005, Pages: 160–167, Jae-Koo An, Keith Blomenkamp, Douglas Lindblad and Jeffrey H. Teckman

    Article first published online : 23 DEC 2004, DOI: 10.1002/hep.20508

  19. How maltose influences structural changes to bind to maltose-binding protein: Results from umbrella sampling simulation

    Proteins: Structure, Function, and Bioinformatics

    Volume 81, Issue 2, February 2013, Pages: 185–198, Nahren Manuel Mascarenhas and Johannes Kästner

    Article first published online : 29 SEP 2012, DOI: 10.1002/prot.24174

  20. Streptococcal Hyaluronate Lyase Reveals the Presence of a Structurally Significant C[BOND]H⋅⋅⋅O Hydrogen Bond

    Chemistry - A European Journal

    Volume 20, Issue 4, January 20, 2014, Pages: 990–998, Kevin B. Moore III, Angela N. Migues, Prof. Henry F. Schaefer III and Prof. Robert A. Vergenz

    Article first published online : 16 DEC 2013, DOI: 10.1002/chem.201303231