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Stochastic thermostats: comparison of local and global schemes., и . Comput. Phys. Commun., 179 (1-3): 26-29 (2008)Kissing loop interaction in adenine riboswitch: insights from umbrella sampling simulations., , и . BMC Bioinform., 16 (S-9): S6 (2015)Exploration, Representation, and Rationalization of the Conformational Phase Space of N-Glycans., , и . J. Chem. Inf. Model., 62 (20): 4992-5008 (2022)Structural Role of Uracil DNA Glycosylase for the Recognition of Uracil in DNA Duplexes. Clues from Atomistic Simulations., , , и . Journal of Chemical Information and Modeling, 53 (6): 1371-1387 (2013)A simple asynchronous replica-exchange implementation. CoRR, (2008)Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration., и . Entropy, 16 (1): 163-199 (2014)Using the Maximum Entropy Principle to Combine Simulations and Solution Experiments., , и . Comput., 6 (1): 15 (2018)Atomistic Picture of Opening-Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations., , , , , , , и . J. Chem. Inf. Model., 63 (9): 2794-2809 (мая 2023)PLUMED: A portable plugin for free-energy calculations with molecular dynamics., , , , , , , , , и 1 other автор(ы). Comput. Phys. Commun., 180 (10): 1961-1972 (2009)PLUMED 2: New feathers for an old bird., , , , и . Comput. Phys. Commun., 185 (2): 604-613 (2014)