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Plos Computational Biology|July 25, 2024
Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profilePatrick Bryant, Frank NoéNature Communications|August 26, 2024
Structure prediction of alternative protein conformationsPatrick Bryant, Frank NoéNature Communications|May 28, 2024
Structure prediction of protein-ligand complexes from sequence information with UmolPatrick Bryant, Atharva Kelkar, Andrea Guljas, et al.The Journal of Chemical Physics|July 8, 2008
Probability distributions of molecular observables computed from Markov modelsFrank NoéThe Journal of Chemical Physics|July 2, 2018
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kineticsChristoph Wehmeyer, Frank NoéThe Journal of Chemical Physics|November 17, 2017
An efficient multi-scale Green's function reaction dynamics schemeLuigi Sbailò, Frank NoéJournal of Chemical Theory and Computation|November 18, 2015
Kinetic distance and kinetic maps from molecular dynamics simulationFrank Noé, Cecilia ClementiProceedings of the National Academy of Sciences of the United States of America|July 10, 2019
Dynamic graphical models of molecular kineticsSimon Olsson, Frank NoéEuropean Journal of Cell Biology|October 25, 2011
Calculating kinetics and pathways of protein-ligand associationMartin Held, Frank NoéPlos One|September 17, 2013
ReaDDy--a software for particle-based reaction-diffusion dynamics in crowded cellular environmentsJohannes Schöneberg, Frank NoéPageof 21