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Fernbach award., и . SC, ACM, (2009)Canonical sampling through velocity rescaling, , и . The Journal of Chemical Physics, 126 (1): 014101 (2007)Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach, , , , , и . Computer Physics Communications, 167 (2): 103 - 128 (2005)Langevin Equation with Colored Noise for Constant-Temperature Molecular Dynamics Simulations, , и . Physical Review Letters, 102 (2): 020601 (2009)Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition., , , , , , и . Proceedings of the National Academy of Sciences, 107 (12): 5411-5416 (2010)Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics., , и . J. Comput. Chem., 30 (11): 1615-1621 (2009)Stochastic thermostats: comparison of local and global schemes., и . Comput. Phys. Commun., 179 (1-3): 26-29 (2008)Variational Approach to Enhanced Sampling and Free Energy Calculations, и . Phys. Rev. Lett., 113 (9): 090601 (августа 2014)A microscopic description of acid-base equilibrium., , и . CoRR, (2019)From A to B in free energy space, , и . The Journal of Chemical Physics, 126 (5): 054103 (2007)