(Q36449550)

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Determination of three-dimensional structures of proteins from interproton distance data by hybrid distance geometry-dynamical simulated annealing calculations

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scholarly article

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Europe PubMed Central

14 August 2017

Determination of three-dimensional structures of proteins from interproton distance data by hybrid distance geometry-dynamical simulated annealing calculations (English)

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Europe PubMed Central

14 August 2017

protein structure

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ORCID Public Data File 2021

author name string

Nilges M

1

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Europe PubMed Central

14 August 2017

Clore GM

2

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Europe PubMed Central

14 August 2017

Gronenborn AM

3

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Europe PubMed Central

14 August 2017

language of work or name

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publication date

1 March 1988

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Europe PubMed Central

14 August 2017

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Europe PubMed Central

14 August 2017

229

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Europe PubMed Central

14 August 2017

317-324

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Europe PubMed Central

14 August 2017

2

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Europe PubMed Central

14 August 2017

Determination of three-dimensional structures of proteins in solution by nuclear magnetic resonance spectroscopy

1 reference

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Calculation of protein conformations by proton-proton distance constraints. A new efficient algorithm

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Solution conformation of a heptadecapeptide comprising the DNA binding helix F of the cyclic AMP receptor protein of Escherichia coli. Combined use of 1H nuclear magnetic resonance and restrained molecular dynamics.

1 reference

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A protein structure from nuclear magnetic resonance data. lac repressor headpiece

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Application of molecular dynamics with interproton distance restraints to three-dimensional protein structure determination. A model study of crambin

1 reference

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Three-dimensional structure of proteins determined by molecular dynamics with interproton distance restraints: application to crambin

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Structure refinement of oligonucleotides by molecular dynamics with nuclear Overhauser effect interproton distance restraints: application to 5' d(C-G-T-A-C-G)2.

1 reference

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21 January 2018

An evaluation of the combined use of nuclear magnetic resonance and distance geometry for the determination of protein conformations in solution

1 reference

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21 January 2018

Cayley-Menger coordinates

1 reference

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The determination of the three-dimensional structure of barley serine proteinase inhibitor 2 by nuclear magnetic resonance, distance geometry and restrained molecular dynamics.

1 reference

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21 January 2018

Protein structures in solution by nuclear magnetic resonance and distance geometry. The polypeptide fold of the basic pancreatic trypsin inhibitor determined using two different algorithms, DISGEO and DISMAN.

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Crystallographic R factor refinement by molecular dynamics

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Solution conformations of human growth hormone releasing factor: comparison of the restrained molecular dynamics and distance geometry methods for a system without long-range distance data

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Optimization by Simulated Annealing

1 reference

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Equation of State Calculations by Fast Computing Machines

1 reference

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

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Structure of the hydrophobic protein crambin determined directly from the anomalous scattering of sulphur

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Solution conformation of proteinase inhibitor IIA from bull seminal plasma by 1H nuclear magnetic resonance and distance geometry

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A comparison of the restrained molecular dynamics and distance geometry methods for determining three-dimensional structures of proteins on the basis of interproton distances

1 reference

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Comparison of the solution and X-ray structures of barley serine proteinase inhibitor 2.

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Method of determining protein conformations by the two-dimensional nuclear Overhauser enhancement spectroscopy data

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Three-dimensional structure of phoratoxin in solution: combined use of nuclear magnetic resonance, distance geometry, and restrained molecular dynamics

1 reference

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21 January 2018

Three-dimensional structure of potato carboxypeptidase inhibitor in solution. A study using nuclear magnetic resonance, distance geometry, and restrained molecular dynamics

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21 January 2018

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10.1016/0014-5793(88)81148-7

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Europe PubMed Central

14 August 2017

1 reference

Europe PubMed Central

14 August 2017

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