【摘 要】
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Many important chemical and biological phenomena are slow processes on time-scales from microsec to msec or much longer.The limitation of all-atom MD simula
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Many important chemical and biological phenomena are slow processes on time-scales from microsec to msec or much longer.The limitation of all-atom MD simulations in general purpose computers suggests the importance of enhanced conformational sampling methods.Here,we discuss the practical usages of parallel MD simulation methods developed in our group for overcoming the energy barriers between metastable states in the rugged free-energy landscapes.
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