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There are 4045 results for: content related to: Capturing the energetics of water insertion in biological systems: The water flooding approach

  1. You have free access to this content
    Computational basis of knowledge-based conformational probabilities derived from local- and long-range interactions in proteins

    Proteins: Structure, Function, and Bioinformatics

    Volume 66, Issue 1, January 2007, Pages: 29–40, Lerzan Ormeci, Attila Gursoy, Guzin Tunca and Burak Erman

    Article first published online : 12 OCT 2006, DOI: 10.1002/prot.21206

  2. Quantifying allosteric effects in proteins

    Proteins: Structure, Function, and Bioinformatics

    Volume 59, Issue 4, 1 June 2005, Pages: 697–707, Dengming Ming and Michael E. Wall

    Article first published online : 8 APR 2005, DOI: 10.1002/prot.20440

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    Multiscale simulations of protein landscapes: Using coarse-grained models as reference potentials to full explicit models

    Proteins: Structure, Function, and Bioinformatics

    Volume 78, Issue 5, April 2010, Pages: 1212–1227, Benjamin M. Messer, Maite Roca, Zhen T. Chu, Spyridon Vicatos, Alexandra Vardi Kilshtain and Arieh Warshel

    Article first published online : 16 OCT 2009, DOI: 10.1002/prot.22640

  4. Protein conformational transitions explored by mixed elastic network models

    Proteins: Structure, Function, and Bioinformatics

    Volume 69, Issue 1, October 2007, Pages: 43–57, Wenjun Zheng, Bernard R. Brooks and Gerhard Hummer

    Article first published online : 27 JUN 2007, DOI: 10.1002/prot.21465

  5. Comparison between computational alanine scanning and per-residue binding free energy decomposition for protein–protein association using MM-GBSA: Application to the TCR-p-MHC complex

    Proteins: Structure, Function, and Bioinformatics

    Volume 67, Issue 4, June 2007, Pages: 1026–1047, Vincent Zoete and Olivier Michielin

    Article first published online : 21 MAR 2007, DOI: 10.1002/prot.21395

  6. Iterative cluster-NMA: A tool for generating conformational transitions in proteins

    Proteins: Structure, Function, and Bioinformatics

    Volume 74, Issue 3, 15 February 2009, Pages: 760–776, Adam D. Schuyler, Robert L. Jernigan, Pradman K. Qasba, Boopathy Ramakrishnan and Gregory S. Chirikjian

    Article first published online : 19 AUG 2008, DOI: 10.1002/prot.22200

  7. Accurate prediction for atomic-level protein design and its application in diversifying the near-optimal sequence space

    Proteins: Structure, Function, and Bioinformatics

    Volume 75, Issue 3, 15 May 2009, Pages: 682–705, Menachem Fromer and Chen Yanover

    Article first published online : 25 SEP 2008, DOI: 10.1002/prot.22280

  8. Self-guided Langevin dynamics study of regulatory interactions in NtrC

    Proteins: Structure, Function, and Bioinformatics

    Volume 76, Issue 4, September 2009, Pages: 1007–1019, Ana Damjanović, Bertrand García-Moreno E. and Bernard R. Brooks

    Article first published online : 26 MAR 2009, DOI: 10.1002/prot.22439

  9. Optimizing pKA computation in proteins with pH adapted conformations

    Proteins: Structure, Function, and Bioinformatics

    Volume 71, Issue 3, 15 May 2008, Pages: 1335–1348, Gernot Kieseritzky and Ernst-Walter Knapp

    Article first published online : 3 DEC 2007, DOI: 10.1002/prot.21820

  10. Unstructured intermediate states in single protein force experiments

    Proteins: Structure, Function, and Bioinformatics

    Volume 71, Issue 3, 15 May 2008, Pages: 1145–1155, Ivan Junier and Felix Ritort

    Article first published online : 14 NOV 2007, DOI: 10.1002/prot.21802

  11. Study of the insulin dimerization: Binding free energy calculations and per-residue free energy decomposition

    Proteins: Structure, Function, and Bioinformatics

    Volume 61, Issue 1, 1 October 2005, Pages: 79–93, Vincent Zoete, Markus Meuwly and Martin Karplus

    Article first published online : 3 AUG 2005, DOI: 10.1002/prot.20528

  12. Robustness and generalization of structure-based models for protein folding and function

    Proteins: Structure, Function, and Bioinformatics

    Volume 77, Issue 4, December 2009, Pages: 881–891, Heiko Lammert, Alexander Schug and José N. Onuchic

    Article first published online : 19 JUN 2009, DOI: 10.1002/prot.22511

  13. Backbone dynamics of TFE-induced native-like fold of region 4 of Escherichia coli RNA polymerase σ70 subunit

    Proteins: Structure, Function, and Bioinformatics

    Volume 78, Issue 3, 15 February 2010, Pages: 754–768, Piotr Kaczka, Agnieszka Polkowska-Nowakowska, Krystyna Bolewska, Igor Zhukov, Jarosław Poznański and Kazimierz L. Wierzchowski

    Article first published online : 11 SEP 2009, DOI: 10.1002/prot.22607

  14. Effective approach for calculations of absolute stability of proteins using focused dielectric constants

    Proteins: Structure, Function, and Bioinformatics

    Volume 77, Issue 3, 15 November 2009, Pages: 670–684, Spyridon Vicatos, Maite Roca and Arieh Warshel

    Article first published online : 18 MAY 2009, DOI: 10.1002/prot.22481

  15. Normal-mode-based modeling of allosteric couplings that underlie cyclic conformational transition in F1 ATPase

    Proteins: Structure, Function, and Bioinformatics

    Volume 76, Issue 3, 15 August 2009, Pages: 747–762, Wenjun Zheng

    Article first published online : 2 FEB 2009, DOI: 10.1002/prot.22386

  16. Lipid a from lipopolysaccharide recognition: Structure, dynamics and cooperativity by molecular dynamics simulations

    Proteins: Structure, Function, and Bioinformatics

    Volume 81, Issue 4, April 2013, Pages: 658–674, Jose Antonio Garate and Chris Oostenbrink

    Article first published online : 15 JAN 2013, DOI: 10.1002/prot.24223

  17. Modeling protein density of states: Additive hydrophobic effects are insufficient for calorimetric two-state cooperativity

    Proteins: Structure, Function, and Bioinformatics

    Volume 40, Issue 4, 1 September 2000, Pages: 543–571, Hue Sun Chan

    Article first published online : 28 JUN 2000, DOI: 10.1002/1097-0134(20000901)40:4<543::AID-PROT20>3.0.CO;2-O

  18. Folding and dimerization of the ionic peptide EAK 16-IV

    Proteins: Structure, Function, and Bioinformatics

    Volume 72, Issue 1, July 2008, Pages: 150–162, Zhiqiang Yan, Jun Wang and Wei Wang

    Article first published online : 23 JAN 2008, DOI: 10.1002/prot.21903

  19. Structural thermodynamics of protein preferential solvation: Osmolyte solvation of proteins, aminoacids, and peptides

    Proteins: Structure, Function, and Bioinformatics

    Volume 73, Issue 4, December 2008, Pages: 802–813, Matthew Auton, D. Wayne Bolen and Jörg Rösgen

    Article first published online : 22 MAY 2008, DOI: 10.1002/prot.22103

  20. All-atom structural models of insulin binding to the insulin receptor in the presence of a tandem hormone-binding element

    Proteins: Structure, Function, and Bioinformatics

    Volume 81, Issue 6, June 2013, Pages: 1017–1030, Harish Vashisth and Cameron F. Abrams

    Article first published online : 27 FEB 2013, DOI: 10.1002/prot.24255