55 citations · 97 across the 4 of their papers we have counts for
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q-bio.BM2020★ 25 cited
Analysis of the Results of Metadynamics Simulations by metadynminer and metadynminer3d
Dalibor Trapl, Vojtěch Spiwok
The molecular simulations solve the equation of motion of molecular systems, making 3D shapes of molecules four-dimensional by adding the time coordinate. These methods have a grea…
physics.chem-ph2020★ 55 cited
Time-Lagged t-Distributed Stochastic Neighbor Embedding (t-SNE) of Molecular Simulation Trajectories
Vojtěch Spiwok, Pavel Kříž
Molecular simulation trajectories represent high-dimensional data. Such data can be visualized by methods of dimensionality reduction. Non-linear dimensionality reduction methods a…