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Atomic-Resolution Simulations Predict a Transition State for Vesicle Fusion Defined by Contact of a Few Lipid Tails., , and . PLoS Comput. Biol., (2010)Persistent voids: a new structural metric for membrane fusion., , , , , and . Bioinform., 23 (14): 1753-1759 (2007)CAMPAIGN: an open-source library of GPU-accelerated data clustering algorithms., , , , and . Bioinform., 27 (16): 2321-2322 (2011)Using path sampling to build better Markovian state models: Predicting the folding rate and mechanism of a tryptophan zipper beta hairpin, , and . Journal of Chemical Physics, 121 (1): 415-425 (2004)Hard Data on Soft Errors: A Large-Scale Assessment of Real-World Error Rates in GPGPU, and . CoRR, (2009)Decision functions from supervised machine learning algorithms as collective variables for accelerating molecular simulations., and . CoRR, (2018)Note: Variational Encoding of Protein Dynamics Benefits from Maximizing Latent Autocorrelation., and . CoRR, (2018)Everything you wanted to know about Markov State Models but were afraid to ask, , and . Methods, 52 (1): 99--105 (2010)Retrosynthetic reaction prediction using neural sequence-to-sequence models., , , , , , , , , and . CoRR, (2017)Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation., , , , and . CoRR, (2018)