(Q52621156)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22292950%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

title

Denaturation of HIV-1 protease (PR) monomer by acetic acid: mechanistic and trajectory insights from molecular dynamics simulations and NMR (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22292950%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

1 reference

1

1 reference

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21 January 2020

Aditi Narendra Borkar

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22292950%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

4

Ramakrishna V Hosur

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22292950%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

author name string

Manoj Kumar Rout

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22292950%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

publication date

1 January 2012

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22292950%20AND%20SRC:MED&resulttype=core&format=json

Journal of Biomolecular Structure and Dynamics

21 January 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22292950%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

volume

29

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22292950%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

issue

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22292950%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

page(s)

893-903

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22292950%20AND%20SRC:MED&resulttype=core&format=json

Urea and guanidinium chloride denature protein L in different ways in molecular dynamics simulations

21 January 2020

cites work

1 reference

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Polar or apolar--the role of polarity for urea-induced protein denaturation

21 January 2018

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Atomistic mechanism of protein denaturation by urea

21 January 2018

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Molecular dynamics simulations of urea and thermal-induced denaturation of S-peptide analogue

21 January 2018

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Protein folding and unfolding studied at atomic resolution by fast two-dimensional NMR spectroscopy

21 January 2018

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Protein folding studied by real-time NMR spectroscopy.

21 January 2018

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New tools provide new insights in NMR studies of protein dynamics

21 January 2018

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Conserved folding pathways of alpha-lactalbumin and lysozyme revealed by kinetic CD, fluorescence, NMR, and interrupted refolding experiments.

21 January 2018

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Cytochrome c folding pathway: kinetic native-state hydrogen exchange

21 January 2018

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Submillisecond folding of monomeric lambda repressor

21 January 2018

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Low-populated folding intermediates of Fyn SH3 characterized by relaxation dispersion NMR.

21 January 2018

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Ten-microsecond molecular dynamics simulation of a fast-folding WW domain

21 January 2018

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

21 January 2018

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Combining experiment and simulation in protein folding: closing the gap for small model systems

21 January 2018

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

21 January 2018

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Convergence of replica exchange molecular dynamics.

21 January 2018

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Formation of the folding nucleus of an SH3 domain investigated by loosely coupled molecular dynamics simulations

21 January 2018

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Transition state contact orders correlate with protein folding rates.

21 January 2018

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Transition states for protein folding have native topologies despite high structural variability

21 January 2018

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Molecular dynamics simulations of HIV-1 protease with peptide substrate.

21 January 2018

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HIV-1 protease substrate binding and product release pathways explored with coarse-grained molecular dynamics

21 January 2018

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Molecular dynamics study of the connection between flap closing and binding of fullerene-based inhibitors of the HIV-1 protease

21 January 2018

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Molecular dynamics simulations of 14 HIV protease mutants in complexes with indinavir

21 January 2018

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Molecular Dynamics Simulations of HIV-1 Protease Suggest Different Mechanisms Contributing to Drug Resistance.

21 January 2018

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HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: possible contributions to drug resistance and a potential new target site for drugs

21 January 2018

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The folding and dimerization of HIV-1 protease: evidence for a stable monomer from simulations

21 January 2018

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Molecular dynamics simulations of HIV-1 protease monomer: Assembly of N-terminus and C-terminus into beta-sheet in water solution.

21 January 2018

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HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F073911012010525025

Flap opening in HIV-1 protease simulated by 'activated' molecular dynamics.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F073911012010525025

Large scale purification and refolding of HIV-1 protease from Escherichia coli inclusion bodies.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F073911012010525025

Visualization of early events in acetic acid denaturation of HIV-1 protease: a molecular dynamics study.

21 January 2018

1 reference

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PRODRG: a tool for high-throughput crystallography of protein-ligand complexes

21 January 2018

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21 January 2018

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GROMACS: A message-passing parallel molecular dynamics implementation

21 January 2018

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An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase

21 January 2018

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Solution structure of the mature HIV-1 protease monomer: insight into the tertiary fold and stability of a precursor

21 January 2018

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VMD: visual molecular dynamics

21 January 2018

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Backbone dynamics of a free and phosphopeptide-complexed Src homology 2 domain studied by 15N NMR relaxation

21 January 2018

1 reference

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Toward a taxonomy of the denatured state: small angle scattering studies of unfolded proteins

21 January 2018

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Random-coil behavior and the dimensions of chemically unfolded proteins

21 January 2018

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Time dependence of atomic fluctuations in proteins: analysis of local and collective motions in bovine pancreatic trypsin inhibitor.

21 January 2018

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A 500 ps molecular dynamics simulation study of interleukin-1 beta in water. Correlation with nuclear magnetic resonance spectroscopy and crystallography.

21 January 2018

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Design of HIV-1-PR inhibitors that do not create resistance: blocking the folding of single monomers

21 January 2018

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Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

21 January 2018

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21 January 2018

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