(Q40406654)

20 September 2017

title

Finding pathways between distant local minima (English)

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20 September 2017

Joanne M Carr

1

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20 September 2017

Semen A Trygubenko

series ordinal

2

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20 September 2017

David J Wales

series ordinal

3

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20 September 2017

language of work or name

English

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publication date

1 June 2005

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Journal of Chemical Physics

20 September 2017

published in

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20 September 2017

volume

122

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20 September 2017

issue

23

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20 September 2017

page(s)

234903

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Some applications of the transition state method to the calculation of reaction velocities, especially in solution

20 September 2017

cites work

1 reference

Finding saddles on multidimensional potential surfaces

21 January 2018

1 reference

A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives

21 January 2018

1 reference

A growing string method for determining transition states: comparison to the nudged elastic band and string methods

21 January 2018

1 reference

A doubly nudged elastic band method for finding transition states.

21 January 2018

1 reference

Analysis of cooperativity and localization for atomic rearrangements.

21 January 2018

1 reference

Minimization of polypeptide energy. XI. The method of gentlest ascent

21 January 2018

1 reference

Transition path sampling: throwing ropes over rough mountain passes, in the dark.

21 January 2018

1 reference

Updating quasi-Newton matrices with limited storage

21 January 2018

1 reference

A note on two problems in connexion with graphs

21 January 2018

1 reference

Space, Stars, C60, and Soot

21 January 2018

1 reference

Annealing c60+: synthesis of fullerenes and large carbon rings

21 January 2018

1 reference

C60: Buckminsterfullerene

21 January 2018

1 reference

Solid C60: a new form of carbon

21 January 2018

1 reference

Theoretical studies of icosahedral C60 and some related species

21 January 2018

1 reference

A novel, highly stable fold of the immunoglobulin binding domain of streptococcal protein G

21 January 2018

1 reference

A short linear peptide that folds into a native stable beta-hairpin in aqueous solution

21 January 2018

1 reference

Folding of Protein G B1 Domain Studied by the Conformational Characterization of Fragments Comprising Its Secondary Structure Elements

21 January 2018

1 reference

Folding dynamics and mechanism of beta-hairpin formation

21 January 2018

1 reference

A statistical mechanical model for beta-hairpin kinetics.

21 January 2018

1 reference

Understanding beta-hairpin formation

21 January 2018

1 reference

A molecular dynamics study of the 41-56 beta-hairpin from B1 domain of protein G

21 January 2018

1 reference

Molecular dynamics simulations of a beta-hairpin fragment of protein G: balance between side-chain and backbone forces

21 January 2018

1 reference

The free energy landscape for beta hairpin folding in explicit water

21 January 2018

1 reference

Can a continuum solvent model reproduce the free energy landscape of a beta -hairpin folding in water?

21 January 2018

1 reference

Transition-path sampling of β-hairpin folding

21 January 2018

1 reference

Hidden complexity of free energy surfaces for peptide (protein) folding

21 January 2018

1 reference

Folding of the GB1 hairpin peptide from discrete path sampling.

21 January 2018

1 reference

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

Effective energy function for proteins in solution

21 January 2018

1 reference

Tryptophan zippers: Stable, monomeric -hairpins

21 January 2018

1 reference

Trp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy.

21 January 2018

1 reference

Understanding the key factors that control the rate of beta-hairpin folding

21 January 2018

1 reference

21 January 2018

The Protein Data Bank

1 reference

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

21 January 2018

1 reference

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

21 January 2018

1 reference

Global optimization of clusters, crystals, and biomolecules.

21 January 2018

1 reference

NMR structure of the 35-residue villin headpiece subdomain

21 January 2018

1 reference

Experimental tests of villin subdomain folding simulations

21 January 2018

1 reference

Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution

21 January 2018

1 reference

The early stage of folding of villin headpiece subdomain observed in a 200-nanosecond fully solvated molecular dynamics simulation

21 January 2018

1 reference

Enhanced ab initio protein folding simulations in Poisson-Boltzmann molecular dynamics with self-guiding forces

21 January 2018

1 reference

Large-scale context in protein folding: villin headpiece

21 January 2018

1 reference

Application of the diffusion-collision model to the folding of three-helix bundle proteins.

21 January 2018

1 reference

Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing

21 January 2018

1 reference

Simulation of folding of a small alpha-helical protein in atomistic detail using worldwide-distributed computing

21 January 2018

1 reference

Nudged elastic band method for finding minimum energy paths of transitions

21 January 2018

1 reference

Sampling the complex energy landscape of a simple β-hairpin

21 January 2018

1 reference

Coalescence reactions of fullerenes

21 January 2018

1 reference

Experimental evidence for the formation of fullerenes by collisional heating of carbon rings in the gas phase

21 January 2018

1 reference

Role of sp3 carbon and 7-membered rings in fullerene annealing and fragmentation

21 January 2018

1 reference

Archetypal energy landscapes

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.1931587

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20 September 2017

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