Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins

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Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins. / Andersen, Ole Juul; Grouleff, Julie; Needham, Perri; Walker, Ross C.; Jensen, Frank.

In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 119, No. 46, 2015, p. 14594-14603.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

Harvard

Andersen, OJ, Grouleff, J, Needham, P, Walker, RC & Jensen, F 2015, 'Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins', Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol. 119, no. 46, pp. 14594-14603. https://doi.org/10.1021/acs.jpcb.5b07816

APA

Andersen, O. J., Grouleff, J., Needham, P., Walker, R. C., & Jensen, F. (2015). Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 119(46), 14594-14603. https://doi.org/10.1021/acs.jpcb.5b07816

CBE

Andersen OJ, Grouleff J, Needham P, Walker RC, Jensen F. 2015. Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 119(46):14594-14603. https://doi.org/10.1021/acs.jpcb.5b07816

MLA

Andersen, Ole Juul et al. "Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins". Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 2015, 119(46). 14594-14603. https://doi.org/10.1021/acs.jpcb.5b07816

Vancouver

Andersen OJ, Grouleff J, Needham P, Walker RC, Jensen F. Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 2015;119(46):14594-14603. https://doi.org/10.1021/acs.jpcb.5b07816

Author

Andersen, Ole Juul ; Grouleff, Julie ; Needham, Perri ; Walker, Ross C. ; Jensen, Frank. / Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins. In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 2015 ; Vol. 119, No. 46. pp. 14594-14603.

Bibtex

@article{6f2365a951334be5bc0f5e69aeff6dec,
title = "Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins",
author = "Andersen, {Ole Juul} and Julie Grouleff and Perri Needham and Walker, {Ross C.} and Frank Jensen",
year = "2015",
doi = "10.1021/acs.jpcb.5b07816",
language = "English",
volume = "119",
pages = "14594--14603",
journal = "Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "46",

}

RIS

TY - JOUR

T1 - Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins

AU - Andersen, Ole Juul

AU - Grouleff, Julie

AU - Needham, Perri

AU - Walker, Ross C.

AU - Jensen, Frank

PY - 2015

Y1 - 2015

U2 - 10.1021/acs.jpcb.5b07816

DO - 10.1021/acs.jpcb.5b07816

M3 - Journal article

VL - 119

SP - 14594

EP - 14603

JO - Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical

JF - Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical

SN - 1520-6106

IS - 46

ER -