Erratum: “Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle” [J. Chem. Phys. 138, 094112 (2013)]

Andrea Cavalli; Carlo Camilloni; Michele Vendruscolo

doi:10.1063/1.4828456

Erratum: “Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle” [J. Chem. Phys. 138, 094112 (2013)]

The Journal of Chemical Physics ◽

10.1063/1.4828456 ◽

2013 ◽

Vol 139 (16) ◽

pp. 169903 ◽

Cited By ~ 2

Author(s):

Andrea Cavalli ◽

Carlo Camilloni ◽

Michele Vendruscolo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Maximum Entropy ◽

Maximum Entropy Principle ◽

Chem Phys ◽

Structural Ensembles ◽

Entropy Principle ◽

Structural Restraints ◽

Dynamics Simulations

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Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle

The Journal of Chemical Physics ◽

10.1063/1.4793625 ◽

2013 ◽

Vol 138 (9) ◽

pp. 094112 ◽

Cited By ~ 129

Author(s):

Andrea Cavalli ◽

Carlo Camilloni ◽

Michele Vendruscolo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Maximum Entropy ◽

Maximum Entropy Principle ◽

Structural Ensembles ◽

Entropy Principle ◽

Structural Restraints ◽

Dynamics Simulations

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Characterization of the structural ensembles of p53 TAD2 by molecular dynamics simulations with different force fields

Physical Chemistry Chemical Physics ◽

10.1039/c8cp00067k ◽

2018 ◽

Vol 20 (13) ◽

pp. 8676-8684 ◽

Cited By ~ 7

Author(s):

Yanhua Ouyang ◽

Likun Zhao ◽

Zhuqing Zhang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Force Fields ◽

Structural Ensembles ◽

Dynamics Simulations

The conformations of p53 TAD2 in complexes and sampled in simulations with five force fields.

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Erratum: “A pure H2O isolated line-shape model based on classical molecular dynamics simulations of velocity changes and semi-classical calculations of speed-dependent collisional parameters” [J. Chem. Phys. 136, 154310 (2012)]

The Journal of Chemical Physics ◽

10.1063/1.4719804 ◽

2012 ◽

Vol 136 (18) ◽

pp. 189901 ◽

Cited By ~ 3

Author(s):

N. H. Ngo ◽

H. Tran ◽

R. R. Gamache

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Line Shape ◽

Chem Phys ◽

Shape Model ◽

Model Based ◽

Classical Molecular Dynamics ◽

Velocity Changes ◽

Dynamics Simulations

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Erratum: Molecular dynamics simulations of ordered alkane chains physisorbed on graphite [J. Chem. Phys. 96, 6213 (1992)]

The Journal of Chemical Physics ◽

10.1063/1.465125 ◽

1993 ◽

Vol 98 (2) ◽

pp. 1756-1757 ◽

Cited By ~ 4

Author(s):

R. Hentschke ◽

B. L. Schürmann ◽

J. P. Rabe

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Chem Phys ◽

Dynamics Simulations

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Erratum: Molecular dynamics simulations of energy flow at a solid surface: New methods using a smaller number of atoms [J. Chem. Phys. 90, 1229 (1989)]

The Journal of Chemical Physics ◽

10.1063/1.457686 ◽

1989 ◽

Vol 91 (2) ◽

pp. 1385-1385

Author(s):

Andrew E. DePristo ◽

Horia Metiu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Solid Surface ◽

Energy Flow ◽

Chem Phys ◽

New Methods ◽

Dynamics Simulations

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Reply to the ‘Comment on “On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models”’ by S. J. Marrink, X. Periole, D. Peter Tieleman and Alex H. de Vries, Phys. Chem. Chem. Phys., 2010, 12, DOI: 10.1039/b915293h

Physical Chemistry Chemical Physics ◽

10.1039/b922516c ◽

2010 ◽

Vol 12 (9) ◽

pp. 2257 ◽

Cited By ~ 9

Author(s):

Wilfred F. van Gunsteren ◽

Moritz Winger

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Chem Phys ◽

Coarse Grained ◽

Integration Time ◽

Molecular Models ◽

Time Step ◽

De Vries ◽

Dynamics Simulations ◽

Phys Chem Chem Phys

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Faculty Opinions recommendation of Using NMR chemical shifts as structural restraints in molecular dynamics simulations of proteins.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.9315966.9928071 ◽

2011 ◽

Author(s):

Andras Fiser

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Chemical Shifts ◽

Nmr Chemical Shifts ◽

Structural Restraints ◽

Dynamics Simulations

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Erratum: “Efficient multiple-time-step integrators with distance-based force splitting for particle-mesh-Ewald molecular dynamics simulations” [J. Chem. Phys. 116, 5971 (2002)]

The Journal of Chemical Physics ◽

10.1063/1.1487820 ◽

2002 ◽

Vol 117 (4) ◽

pp. 1927-1927

Author(s):

X. Qian ◽

T. Schlick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Chem Phys ◽

Multiple Time ◽

Time Step ◽

Particle Mesh Ewald ◽

Multiple Time Step ◽

Dynamics Simulations

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Erratum: “Molecular dynamics simulations of a Gay–Berne nematic liquid crystal: Elastic properties from direct correlation functions” [J. Chem. Phys. 103, 3098 (1995)]

The Journal of Chemical Physics ◽

10.1063/1.475326 ◽

1997 ◽

Vol 107 (4) ◽

pp. 1295-1296 ◽

Cited By ~ 14

Author(s):

Joachim Stelzer ◽

Hans-Rainer Trebin ◽

Lech Longa

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Elastic Properties ◽

Nematic Liquid Crystal ◽

Correlation Functions ◽

Chem Phys ◽

Dynamics Simulations

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Comment on “Constant temperature molecular dynamics simulations by means of a stochastic collision model. II. The harmonic oscillator’’ [J. Chem. Phys. 104, 3732 (1996)]

The Journal of Chemical Physics ◽

10.1063/1.473974 ◽

1997 ◽

Vol 106 (4) ◽

pp. 1646-1647 ◽

Cited By ~ 4

Author(s):

David S. Sholl ◽

Kristen A. Fichthorn

Keyword(s):

Molecular Dynamics ◽

Harmonic Oscillator ◽

Molecular Dynamics Simulations ◽

Constant Temperature ◽

Chem Phys ◽

Collision Model ◽

Dynamics Simulations

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