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• W2024142790 abstract "We describe a generalization of the gradient-augmented harmonic Fourier beads method for finding minimum free-energy transition path ensembles and similarly minimum potential energy paths to allow positional restraints on the centers of mass of selected atoms. The generalized gradient-augmented harmonic Fourier beads (ggaHFB) method further extends the scope of the HFB methodology to studying molecule transport across various mobile phases such as lipid membranes. Furthermore, the new implementation improves the applicability of the HFB method to studies of ligand binding, protein folding, and enzyme catalysis as well as modeling equilibrium pulling experiments. Like its predecessor, the ggaHFB method provides accurate energy profiles along the specified paths and in certain simple cases avoids the need for path optimization. The utility of the ggaHFB method is demonstrated with an application to the water permeation through a single-wall (5,5) carbon nanotube with a diameter of 6.78 A and length of 16.0 A. We provide a simple rationale as to why water enters the hydrophobic nanotube and why it does so in pulses and in wire assembly." @default.
• W2024142790 created "2016-06-24" @default.
• W2024142790 creator A5035429952 @default.
• W2024142790 creator A5037192120 @default.
• W2024142790 date "2007-09-24" @default.
• W2024142790 modified "2023-09-23" @default.
• W2024142790 title "Generalized gradient-augmented harmonic Fourier beads method with multiple atomic and/or center-of-mass positional restraints" @default.
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• W2024142790 cites W1973285347 @default.
• W2024142790 cites W1974864228 @default.
• W2024142790 cites W1976499671 @default.
• W2024142790 cites W1982562310 @default.
• W2024142790 cites W1983234151 @default.
• W2024142790 cites W1983948180 @default.
• W2024142790 cites W1985572886 @default.
• W2024142790 cites W1987645234 @default.
• W2024142790 cites W1988568995 @default.
• W2024142790 cites W1991794210 @default.
• W2024142790 cites W1992058458 @default.
• W2024142790 cites W1992173555 @default.
• W2024142790 cites W2005732157 @default.
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• W2024142790 cites W2006408795 @default.
• W2024142790 cites W2006869700 @default.
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• W2024142790 cites W2009987871 @default.
• W2024142790 cites W2014633788 @default.
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• W2024142790 cites W2019900183 @default.
• W2024142790 cites W2024400312 @default.
• W2024142790 cites W2027408247 @default.
• W2024142790 cites W2030591027 @default.
• W2024142790 cites W2031272029 @default.
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• W2024142790 cites W2035687084 @default.
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• W2024142790 cites W2038113355 @default.
• W2024142790 cites W2038758364 @default.
• W2024142790 cites W2040923822 @default.
• W2024142790 cites W2041889929 @default.
• W2024142790 cites W2043760657 @default.
• W2024142790 cites W2045648228 @default.
• W2024142790 cites W2046802317 @default.
• W2024142790 cites W2048551761 @default.
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• W2024142790 cites W2052534972 @default.
• W2024142790 cites W2054864208 @default.
• W2024142790 cites W2056265093 @default.
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• W2024142790 cites W2082794278 @default.
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• W2024142790 cites W2086529224 @default.
• W2024142790 cites W2089376662 @default.
• W2024142790 cites W2093722962 @default.
• W2024142790 cites W2093737220 @default.
• W2024142790 cites W2095159847 @default.
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• W2024142790 cites W2146462263 @default.
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• W2024142790 cites W2169091652 @default.
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• W2024142790 doi "https://doi.org/10.1063/1.2771172" @default.
• W2024142790 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17902931" @default.
• W2024142790 hasPublicationYear "2007" @default.
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