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Molecules (Basel, Switzerland)|June 24, 2017
CH/π Interactions in Carbohydrate RecognitionVojtěch SpiwokJournal of Chemical Theory and Computation|August 12, 2016
Sampling Enhancement and Free Energy Prediction by the Flying Gaussian MethodZoran Šućur, Vojtěch SpiwokThe Journal of Chemical Physics|December 16, 2011
Metadynamics in the conformational space nonlinearly dimensionally reduced by IsomapVojtěch Spiwok, Blanka KrálováFrontiers in Molecular Biosciences|July 28, 2020
Time-Lagged t-Distributed Stochastic Neighbor Embedding (t-SNE) of Molecular Simulation TrajectoriesVojtěch Spiwok, Pavel KřížProtein Science : a Publication of the Protein Society|September 24, 2025
Design of proteins by parallel tempering in the sequence spacePreet Kalani, Vojtěch SpiwokJournal of Chemical Theory and Computation|March 17, 2023
Free Energy Differences from Molecular Simulations: Exact Confidence Intervals from Transition CountsPavel Kříž, Jan Beránek, Vojtěch SpiwokThe Journal of Physical Chemistry. B|October 27, 2017
Free-Energy Surface Prediction by Flying Gaussian Method: Multisystem RepresentationPavel Kříž, Zoran Šućur, Vojtěch SpiwokBioinformatics (Oxford, England)|October 18, 2024
Analysis of metadynamics simulations by metadynminer.pyJan Beránek, Aleš Křenek, Vojtěch SpiwokThe Journal of Chemical Physics|March 24, 2026
Analysis and sampling of molecular simulations with adversarial autoencodersGuglielmo Tedeschi, Aleš Křenek, Vojtěch SpiwokJournal of Chemical Theory and Computation|May 25, 2026
Generative Autoencoders Coupled to Monte Carlo Simulation Allow Efficient Protein Conformation SamplingJan Beránek, Guglielmo Tedeschi, Vojtěch SpiwokPageof 6