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Journal of Statistical Physics|December 21, 2011
Quantifying density fluctuations in volumes of all shapes and sizes using indirect umbrella samplingAmish J Patel, Patrick Varilly, David Chandler, et al.The Journal of Physical Chemistry. B|June 28, 2023
Characterizing Surface Ice-Philicity Using Molecular Simulations and Enhanced SamplingSean M Marks, Zachariah Vicars, Aniket U Thosar, et al.Physical Review. E|April 15, 2016
Nonlinear reconstruction of single-molecule free-energy surfaces from univariate time seriesJiang Wang, Andrew L FergusonThe Journal of Physical Chemistry. B|November 15, 2018
Recovery of Protein Folding Funnels from Single-Molecule Time Series by Delay Embeddings and Manifold LearningJiang Wang, Andrew L FergusonThe Journal of Chemical Physics|November 21, 2020
Reconstruction of protein structures from single-molecule time seriesMaximilian Topel, Andrew L FergusonACS Macro Letters|May 13, 2022
100th Anniversary of Macromolecular Science Viewpoint: Data-Driven Protein DesignAndrew L Ferguson, Rama RanganathanSoft Matter|October 12, 2019
Inverse design of self-assembling colloidal crystals with omnidirectional photonic bandgapsYutao Ma, Andrew L FergusonThe Journal of Physical Chemistry. A|April 10, 2023
Girsanov Reweighting Enhanced Sampling Technique (GREST): On-the-Fly Data-Driven Discovery of and Enhanced Sampling in Slow Collective VariablesKirill Shmilovich, Andrew L FergusonThe Journal of Physical Chemistry. B|July 26, 2016
Mesoscale Simulation of Asphaltene AggregationJiang Wang, Andrew L FergusonJournal of Computational Chemistry|October 29, 2018
Molecular enhanced sampling with autoencoders: On-the-fly collective variable discovery and accelerated free energy landscape explorationWei Chen, Andrew L FergusonPageof 16