String method in collective variables: minimum free energy paths and isocommittor surfaces.
By Luca Maragliano, Alexander Fischer, Eric Vanden-Eijnden, G. Ciccotti. Journal of Chemical Physics, 2006
663 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Molecular Biology
View Paper: https://www.semanticscholar.org/paper/ee199edbd90b2e8ce97023711bdbd2cbe3b1d77a
How researchers see this paper
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In Atomic and Molecular Physics, and Optics
- Cameron F. Abrams
- James C. Gumbart
- Benoît Roux
- Christophe Chipot
- Giovanni Bussi
- Siewert-Jan Marrink
- J. Kästner
- Michael Feig
In Molecular Biology
- Cameron F. Abrams
- Benoît Roux
- James C. Gumbart
- Christophe Chipot
- Giovanni Bussi
- J. Kästner
- Michael Feig
Citations in the corpus
- Standard binding free energies from computer simulations: What is the best strategy? (2012, background): “74 The current shortcoming is evidently irrelevant for coupling and decoupling transformations, which in large measure ignore the topology of the binding site of the protein.”
- Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration (2013, methodology): “When working in CVs, the string method is used to find minimal free-energy paths (MFEP’s) [229].”
- Water and ions in clays: Unraveling the interlayer/micropore exchange using molecular dynamics (2007, methodology): “Only a few methods do not rely on an a priori choice of the reaction coordinate: This is for example the case of the String Method [Maragliano et al., 2006] and Metadynamics [Laio and Parrinello, 2002].”