rotational diffusion tensor Latest Research Papers

Evaluating rotation diffusion properties of molecules from short trajectories

Physical Chemistry Chemical Physics ◽

10.1039/c8cp04879g ◽

2019 ◽

Vol 21 (7) ◽

pp. 3662-3668 ◽

Cited By ~ 2

Author(s):

Antonino Polimeno ◽

Mirco Zerbetto

Keyword(s):

Molecular Dynamics ◽

Angular Momentum ◽

Diffusion Tensor ◽

Rotational Diffusion ◽

Autocorrelation Functions ◽

Efficient Approach ◽

Rotational Diffusion Tensor ◽

Diffusion Properties

An efficient approach is reported to estimate the rotational diffusion tensor of molecules from the global angular momentum autocorrelation functions obtained from short molecular dynamics trajectories.

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Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.7b11988 ◽

2018 ◽

Vol 122 (21) ◽

pp. 5630-5639 ◽

Cited By ~ 12

Author(s):

Max Linke ◽

Jürgen Köfinger ◽

Gerhard Hummer

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Diffusion Tensor ◽

Rotational Diffusion ◽

Rotational Diffusion Tensor ◽

Dynamics Simulations ◽

Anisotropic Rotational Diffusion

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Identifiability analysis of rotational diffusion tensor and electronic transition moments measured in time-resolved fluorescence depolarization experiment

The Journal of Chemical Physics ◽

10.1063/1.4881257 ◽

2014 ◽

Vol 140 (22) ◽

pp. 224106 ◽

Cited By ~ 1

Author(s):

Jacek P. Szubiakowski

Keyword(s):

Electronic Transition ◽

Diffusion Tensor ◽

Rotational Diffusion ◽

Time Resolved Fluorescence ◽

Fluorescence Depolarization ◽

Identifiability Analysis ◽

Time Resolved ◽

Transition Moments ◽

Rotational Diffusion Tensor

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Determination of the Rotational Diffusion Tensor of Porphycene by13C and1H Spin Relaxation Methods

The Journal of Physical Chemistry A ◽

10.1021/jp204950c ◽

2011 ◽

Vol 115 (31) ◽

pp. 8604-8607 ◽

Cited By ~ 2

Author(s):

Piotr Bernatowicz

Keyword(s):

Spin Relaxation ◽

Diffusion Tensor ◽

Rotational Diffusion ◽

Relaxation Methods ◽

Rotational Diffusion Tensor

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Fast approximations of the rotational diffusion tensor and their application to structural assembly of molecular complexes

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.23053 ◽

2011 ◽

Vol 79 (7) ◽

pp. 2268-2281 ◽

Cited By ~ 5

Author(s):

Konstantin Berlin ◽

Dianne P. O'Leary ◽

David Fushman

Keyword(s):

Diffusion Tensor ◽

Rotational Diffusion ◽

Molecular Complexes ◽

Structural Assembly ◽

Rotational Diffusion Tensor

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Using the Experimentally Determined Components of the Overall Rotational Diffusion Tensor To Restrain Molecular Shape and Size in NMR Structure Determination of Globular Proteins and Protein−Protein Complexes

Journal of the American Chemical Society ◽

10.1021/ja902336c ◽

2009 ◽

Vol 131 (27) ◽

pp. 9522-9531 ◽

Cited By ~ 18

Author(s):

Yaroslav Ryabov ◽

Jeong-Yong Suh ◽

Alexander Grishaev ◽

G. Marius Clore ◽

Charles D. Schwieters

Keyword(s):

Structure Determination ◽

Diffusion Tensor ◽

Protein Complexes ◽

Rotational Diffusion ◽

Molecular Shape ◽

Globular Proteins ◽

Nmr Structure Determination ◽

Rotational Diffusion Tensor ◽

Shape And Size

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Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor

Journal of Biomolecular NMR ◽

10.1007/s10858-007-9213-3 ◽

2007 ◽

Vol 40 (2) ◽

pp. 121-133 ◽

Cited By ~ 98

Author(s):

Edward J. d’Auvergne ◽

Paul R. Gooley

Keyword(s):

Dynamic Models ◽

Diffusion Tensor ◽

Rotational Diffusion ◽

Model Free ◽

Rotational Diffusion Tensor ◽

Free Parameters ◽

Brownian Rotational Diffusion

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Structural Assembly of Multidomain Proteins and Protein Complexes Guided by the Overall Rotational Diffusion Tensor

Journal of the American Chemical Society ◽

10.1021/ja071185d ◽

2007 ◽

Vol 129 (25) ◽

pp. 7894-7902 ◽

Cited By ~ 31

Author(s):

Yaroslav Ryabov ◽

David Fushman

Keyword(s):

Diffusion Tensor ◽

Protein Complexes ◽

Rotational Diffusion ◽

Multidomain Proteins ◽

Structural Assembly ◽

Rotational Diffusion Tensor

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Efficient and accurate determination of the overall rotational diffusion tensor of a molecule from 15N relaxation data using computer program ROTDIF

Journal of Magnetic Resonance ◽

10.1016/j.jmr.2004.03.019 ◽

2004 ◽

Vol 168 (2) ◽

pp. 336-345 ◽

Cited By ~ 51

Author(s):

Olivier Walker ◽

Ranjani Varadan ◽

David Fushman

Keyword(s):

Computer Program ◽

Diffusion Tensor ◽

Rotational Diffusion ◽

Accurate Determination ◽

15N Relaxation ◽

Relaxation Data ◽

Rotational Diffusion Tensor

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Stokes-flow computation of the diffusion coefficient and rotational diffusion tensor of lysozyme, a globular protein

Physics of Fluids ◽

10.1063/1.1481875 ◽

2002 ◽

Vol 14 (7) ◽

pp. 2376 ◽

Cited By ~ 9

Author(s):

Hong Zhao ◽

Arne J. Pearlstein

Keyword(s):

Diffusion Coefficient ◽

Stokes Flow ◽

Diffusion Tensor ◽

Rotational Diffusion ◽

Globular Protein ◽

Flow Computation ◽

Rotational Diffusion Tensor

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rotational diffusion tensor
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

Evaluating rotation diffusion properties of molecules from short trajectories

Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations

Identifiability analysis of rotational diffusion tensor and electronic transition moments measured in time-resolved fluorescence depolarization experiment

Determination of the Rotational Diffusion Tensor of Porphycene by13C and1H Spin Relaxation Methods

Fast approximations of the rotational diffusion tensor and their application to structural assembly of molecular complexes

Using the Experimentally Determined Components of the Overall Rotational Diffusion Tensor To Restrain Molecular Shape and Size in NMR Structure Determination of Globular Proteins and Protein−Protein Complexes

Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor

Structural Assembly of Multidomain Proteins and Protein Complexes Guided by the Overall Rotational Diffusion Tensor

Efficient and accurate determination of the overall rotational diffusion tensor of a molecule from 15N relaxation data using computer program ROTDIF

Stokes-flow computation of the diffusion coefficient and rotational diffusion tensor of lysozyme, a globular protein

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rotational diffusion tensorRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Evaluating rotation diffusion properties of molecules from short trajectories

Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations

Identifiability analysis of rotational diffusion tensor and electronic transition moments measured in time-resolved fluorescence depolarization experiment

Determination of the Rotational Diffusion Tensor of Porphycene by13C and1H Spin Relaxation Methods

Fast approximations of the rotational diffusion tensor and their application to structural assembly of molecular complexes

Using the Experimentally Determined Components of the Overall Rotational Diffusion Tensor To Restrain Molecular Shape and Size in NMR Structure Determination of Globular Proteins and Protein−Protein Complexes

Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor

Structural Assembly of Multidomain Proteins and Protein Complexes Guided by the Overall Rotational Diffusion Tensor

Efficient and accurate determination of the overall rotational diffusion tensor of a molecule from 15N relaxation data using computer program ROTDIF

Stokes-flow computation of the diffusion coefficient and rotational diffusion tensor of lysozyme, a globular protein

rotational diffusion tensor
Recently Published Documents