GPU acceleration Journal Article 4 059QF0KO0R 1 2867-20-1 1 AMD GPUs 1 AMOEBA polarizable force field 1 CUDA programming 1 mehr ... Dipeptides 1 HIP programming 1 K‐medoids method 1 NVIDIA GPUs 1 OpenMM 1 PLUMED 1 Research Support, Non-U.S. Gov't 1 Synchrotron Radiation Workshop 1 Water 1 X-ray photon correlation spectroscopy 1 alanine dipeptide 1 alanylalanine 1 coherent-mode decomposition 1 fluctuation X-ray scattering 1 free energy simulations 1 metadynamics 1 molecular dynamics simulation 1 multitiered iterative phasing 1 polar Fourier transform 1 spherical harmonic transform 1 structure clustering 1 water simulation 1 weniger ...