most citedFast conformational clustering of extensive molecular dynamics simulation data

20 citations · 20 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2023★ 20 cited

Fast conformational clustering of extensive molecular dynamics simulation data

Simon Hunkler, Kay Diederichs, Oleksandra Kukharenko +1

We present an unsupervised data processing workflow that is specifically designed to obtain a fast conformational clustering of long molecular dynamics simulation trajectories. In…