Literature DB >> 3458240

An approach to the multiple-minima problem by relaxing dimensionality.

E O Purisima, H A Scheraga.   

Abstract

A method is presented for starting from a very-low-energy high-dimensional conformation and obtaining a low-energy three-dimensional structure by gradual contraction of the dimensionality. The contraction in dimensionality is achieved by use of Cayley-Menger determinants, of which a simplified form is derived here. Preliminary results are presented for a virtual-bond pentapeptide and for full-atom representations of several terminally blocked amino acids.

Mesh:

Year:  1986        PMID: 3458240      PMCID: PMC323390          DOI: 10.1073/pnas.83.9.2782

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  5 in total

1.  Cayley-Menger coordinates.

Authors:  M J Sippl; H A Scheraga
Journal:  Proc Natl Acad Sci U S A       Date:  1986-04       Impact factor: 11.205

2.  Solution of the embedding problem and decomposition of symmetric matrices.

Authors:  M J Sippl; H A Scheraga
Journal:  Proc Natl Acad Sci U S A       Date:  1985-04       Impact factor: 11.205

3.  Combined use of proton-proton Overhauser enhancements and a distance geometry algorithm for determination of polypeptide conformations. Application to micelle-bound glucagon.

Authors:  W Braun; C Bösch; L R Brown; N Go; K Wüthrich
Journal:  Biochim Biophys Acta       Date:  1981-02-27

4.  Use of buildup and energy-minimization procedures to compute low-energy structures of the backbone of enkephalin.

Authors:  M Vásquez; H A Scheraga
Journal:  Biopolymers       Date:  1985-08       Impact factor: 2.505

5.  Prediction of the native conformation of a polypeptide by a statistical-mechanical procedure. I. Backbone structure of enkephalin.

Authors:  G H Paine; H A Scheraga
Journal:  Biopolymers       Date:  1985-08       Impact factor: 2.505

  5 in total
  4 in total

1.  Monte Carlo-minimization approach to the multiple-minima problem in protein folding.

Authors:  Z Li; H A Scheraga
Journal:  Proc Natl Acad Sci U S A       Date:  1987-10       Impact factor: 11.205

2.  Local elevation: a method for improving the searching properties of molecular dynamics simulation.

Authors:  T Huber; A E Torda; W F van Gunsteren
Journal:  J Comput Aided Mol Des       Date:  1994-12       Impact factor: 3.686

3.  On the biologically active structures of cholecystokinin, little gastrin, and enkephalin in the gastrointestinal system.

Authors:  M R Pincus; R P Carty; J Chen; J Lubowsky; M Avitable; D Shah; H A Scheraga; R B Murphy
Journal:  Proc Natl Acad Sci U S A       Date:  1987-07       Impact factor: 11.205

4.  Conformational search by potential energy annealing: algorithm and application to cyclosporin A.

Authors:  R C van Schaik; W F van Gunsteren; H J Berendsen
Journal:  J Comput Aided Mol Des       Date:  1992-04       Impact factor: 3.686

  4 in total

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