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PLUMED 2: New feathers for an old bird

Computer Physics Communications · 2013 · Vol. 185(2) · pp. 604–613

Gareth A. Tribello✉(Queen's University Belfast)Massimiliano Bonomi(QB3)Davide Branduardi(Max Planck Society)Carlo Camilloni(University of Cambridge)Giovanni Bussi(Scuola Internazionale Superiore di Studi Avanzati)

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Protein Structure and Dynamics Advanced NMR Techniques and Applications Machine Learning in Materials ScienceComputer scienceFlexibility (engineering)Code (set theory)ImplementationSoftwareModularity (biology)Source codeObject-oriented programmingField (mathematics)Sampling (signal processing)

Funding

Science and Technology Facilities Council

Citations

3,610

FWCI

29.45

field-weighted impact

References

55

Percentile

100%

vs. same field & year

Citations per year

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References

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Journal of Chemical Theory and Computation · 2012 · 745 citations

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

Computer Physics Communications · 2009 · 1,878 citations

Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling

Journal of Computational Physics · 1977 · 6,115 citations

<i>Understanding Molecular Simulation: From Algorithms to Applications</i>

Physics Today · 1997 · 5,077 citations

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Journal of Computational Physics · 1995 · 43,820 citations

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

The Journal of Physical Chemistry B · 1998 · 14,418 citations

Extending the treatment of backbone energetics in protein force fields: Limitations of gas‐phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

Journal of Computational Chemistry · 2004 · 3,367 citations

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