(Q33885203)

29 July 2017

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title

Long timescale simulations (English)

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29 July 2017

Daggett V

1

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29 July 2017

1 April 2000

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Current Opinion in Structural Biology

29 July 2017

1 reference

29 July 2017

10

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29 July 2017

160-164

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29 July 2017

2

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Investigation of the solution structure of chymotrypsin inhibitor 2 using molecular dynamics: comparison to x-ray crystallographic and NMR data

29 July 2017

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Reversible peptide folding in solution by molecular dynamics simulation.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Folding-unfolding thermodynamics of a beta-heptapeptide from equilibrium simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

The effect of motional averaging on the calculation of NMR-derived structural properties

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Is protein unfolding the reverse of protein folding? A lattice simulation analysis

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Long-range electrostatic effects on peptide folding

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Folding and translocation of the undecamer of poly-L-leucine across the water-hexane interface. A molecular dynamics study

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Staphylococcal protein A: unfolding pathways, unfolded states, and differences between the B and E domains

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

First-principles calculation of the folding free energy of a three-helix bundle protein

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Exploring the folding free energy surface of a three-helix bundle protein

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Absence of a stable intermediate on the folding pathway of protein A.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

The stability and unfolding of an IgG binding protein based upon the B domain of protein A from Staphylococcus aureus probed by tryptophan substitution and fluorescence spectroscopy

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Non-native interactions in protein folding intermediates: molecular dynamics simulations of hen lysozyme.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Simulation of the thermal denaturation of hen egg white lysozyme: trapping the molten globule state

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Computational approaches to study protein unfolding: hen egg white lysozyme as a case study

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Demonstration by NMR of folding domains in lysozyme

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

A sampling problem in molecular dynamics simulations of macromolecules

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Characterization of residual structure in the thermally denatured state of barnase by simulation and experiment: description of the folding pathway

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Towards a complete description of the structural and dynamic properties of the denatured state of barnase and the role of residual structure in folding

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Simulations of the structural and dynamical properties of denatured proteins: the "molten coil" state of bovine pancreatic trypsin inhibitor.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Molecular dynamics simulations of protein unfolding and limited refolding: characterization of partially unfolded states of ubiquitin in 60% methanol and in water

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Molecular dynamics simulations of hydrophobic collapse of ubiquitin

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Evidence for a three-state model of protein folding from kinetic analysis of ubiquitin variants with altered core residues

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Identification and characterization of the unfolding transition state of chymotrypsin inhibitor 2 by molecular dynamics simulations.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

"New view" of protein folding reconciled with the old through multiple unfolding simulations.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Locally accessible conformations of proteins: multiple molecular dynamics simulations of crambin

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Hierarchy of structure loss in MD simulations of src SH3 domain unfolding.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

Analysis methods for comparison of multiple molecular dynamics trajectories: applications to protein unfolding pathways and denatured ensembles.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2800%2900062-2

7 January 2021

10.1016/S0959-440X(00)00062-2

Identifiers

DOI

1 reference

29 July 2017

1 reference

PubMed ID

10753819