Literature DB >> 11557887

A microscopic basis for the global appearance of energy landscapes.

D J Wales1.   

Abstract

It is shown that the appearance of a multidimensional potential energy surface, or potential energy landscape, can be related to the form of the interatomic or intermolecular potential. Catastrophe theory enables us to describe how the geometry of the surface changes with parameters in the potential, and provides universal scaling relations that explain, for example, the asymmetric reaction profiles observed for systems bound by long-range forces. The principal result is an unexpected connection between barrier heights, path lengths, and vibrational frequencies, with applications to a wide variety of problems in chemical physics, ranging from Hammond's postulate in organic chemistry, to the relaxation dynamics of complex systems such as glasses and biomolecules.

Year:  2001        PMID: 11557887     DOI: 10.1126/science.1062565

Source DB:  PubMed          Journal:  Science        ISSN: 0036-8075            Impact factor:   47.728


  7 in total

1.  Hydrophobic association of alpha-helices, steric dewetting, and enthalpic barriers to protein folding.

Authors:  Justin L MacCallum; Maria Sabaye Moghaddam; Hue Sun Chan; D Peter Tieleman
Journal:  Proc Natl Acad Sci U S A       Date:  2007-04-02       Impact factor: 11.205

2.  Excluded volume, local structural cooperativity, and the polymer physics of protein folding rates.

Authors:  Xianghong Qi; John J Portman
Journal:  Proc Natl Acad Sci U S A       Date:  2007-06-14       Impact factor: 11.205

3.  Archetypal landscapes for deep neural networks.

Authors:  Philipp C Verpoort; Alpha A Lee; David J Wales
Journal:  Proc Natl Acad Sci U S A       Date:  2020-08-25       Impact factor: 11.205

4.  Conformational change path between closed and open forms of C2 domain of coagulation factor V on a two-dimensional free-energy surface.

Authors:  Sangwook Wu; Chang Jun Lee; Lee G Pedersen
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2009-04-08

5.  Polymer uncrossing and knotting in protein folding, and their role in minimal folding pathways.

Authors:  Ali R Mohazab; Steven S Plotkin
Journal:  PLoS One       Date:  2013-01-24       Impact factor: 3.240

6.  Imprinting bulk amorphous alloy at room temperature.

Authors:  Song-Yi Kim; Eun-Soo Park; Ryan T Ott; Thomas A Lograsso; Moo-Young Huh; Do-Hyang Kim; Jürgen Eckert; Min-Ha Lee
Journal:  Sci Rep       Date:  2015-11-13       Impact factor: 4.379

7.  Energy landscapes of planar colloidal clusters.

Authors:  John W R Morgan; David J Wales
Journal:  Nanoscale       Date:  2014-08-06       Impact factor: 7.790

  7 in total

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