Literature DB >> 16280617

Counting out to the flexibility of molecules.

Walter Whiteley1.   

Abstract

We outline the mathematical models, and the related counting algorithms, that are the basis for fast computations to predict biomolecular flexibility and rigidity. Within these mathematical models, we describe the snap-shot flexibility (instantaneous motions) of biomolecules, extracted from a single snap-shot of the molecule and the connection to larger finite motions. We illustrate the results and techniques with direct analysis of simple secondary structures. Understanding these basic ideas clarifies both the limits and the power of the algorithms, as well as the prospects for extensions and refinements of these algorithms.

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Year:  2005        PMID: 16280617     DOI: 10.1088/1478-3975/2/4/S06

Source DB:  PubMed          Journal:  Phys Biol        ISSN: 1478-3967            Impact factor:   2.583


  19 in total

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2.  Integrating NOE and RDC using sum-of-squares relaxation for protein structure determination.

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Journal:  J Biomol NMR       Date:  2017-06-14       Impact factor: 2.835

3.  Gain-Sparsity and Symmetry-Forced Rigidity in the Plane.

Authors:  Tibor Jordán; Viktória E Kaszanitzky; Shin-Ichi Tanigawa
Journal:  Discrete Comput Geom       Date:  2016-02-01       Impact factor: 0.969

4.  The human platelet antigen-1b (Pro33) variant of αIIbβ3 allosterically shifts the dynamic conformational equilibrium of this integrin toward the active state.

Authors:  Giulia Pagani; Joana P V Pereira; Volker R Stoldt; Andreas Beck; Rüdiger E Scharf; Holger Gohlke
Journal:  J Biol Chem       Date:  2018-02-09       Impact factor: 5.157

5.  Geometric analysis characterizes molecular rigidity in generic and non-generic protein configurations.

Authors:  Dominik Budday; Sigrid Leyendecker; Henry van den Bedem
Journal:  J Mech Phys Solids       Date:  2015-10-01       Impact factor: 5.471

6.  Kinematic Flexibility Analysis: Hydrogen Bonding Patterns Impart a Spatial Hierarchy of Protein Motion.

Authors:  Dominik Budday; Sigrid Leyendecker; Henry van den Bedem
Journal:  J Chem Inf Model       Date:  2018-10-09       Impact factor: 4.956

7.  How does symmetry impact the flexibility of proteins?

Authors:  Bernd Schulze; Adnan Sljoka; Walter Whiteley
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2013-12-30       Impact factor: 4.226

8.  Allosteric signaling in C-linker and cyclic nucleotide-binding domain of HCN2 channels.

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Journal:  Biophys J       Date:  2021-01-28       Impact factor: 4.033

9.  Structure and Function of Redox-Sensitive Superfolder Green Fluorescent Protein Variant.

Authors:  Kim C Heimsch; Christoph G W Gertzen; Anna Katharina Schuh; Thomas Nietzel; Stefan Rahlfs; Jude M Przyborski; Holger Gohlke; Markus Schwarzländer; Katja Becker; Karin Fritz-Wolf
Journal:  Antioxid Redox Signal       Date:  2022-06-22       Impact factor: 7.468

10.  CNA web server: rigidity theory-based thermal unfolding simulations of proteins for linking structure, (thermo-)stability, and function.

Authors:  Dennis M Krüger; Prakash Chandra Rathi; Christopher Pfleger; Holger Gohlke
Journal:  Nucleic Acids Res       Date:  2013-04-22       Impact factor: 16.971

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