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• W2093018891 abstract "We present a method for determining the average transition path and the free energy along this path in the space of selected collective variables. The formalism is based upon a history-dependent bias along a flexible path variable within the metadynamics framework but with a trivial scaling of the cost with the number of collective variables. Controlling the sampling of the orthogonal modes recovers the average path and the minimum free energy path as the limiting cases. The method is applied to resolve the path and the free energy of a conformational transition in alanine dipeptide." @default.
• W2093018891 created "2016-06-24" @default.
• W2093018891 creator A5036576075 @default.
• W2093018891 creator A5090834340 @default.
• W2093018891 date "2012-07-09" @default.
• W2093018891 modified "2023-10-11" @default.
• W2093018891 title "Path Finding on High-Dimensional Free Energy Landscapes" @default.
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• W2093018891 doi "https://doi.org/10.1103/physrevlett.109.020601" @default.
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