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The Journal of Physical Chemistry. A|April 21, 2023
CryoFold 2.0: Cryo-EM Structure Determination with MELDLiwei Chang, Arup Mondal, Justin L MacCallum, et al.
Current Opinion in Structural Biology|May 24, 2023
Hybrid computational methods combining experimental information with molecular dynamicsArup Mondal, Stefan Lenz, Justin L MacCallum, et al.
QRB Discovery|August 2, 2023
Modelling peptide-protein complexes: docking, simulations and machine learningArup Mondal, Liwei Chang, Alberto Perez
Frontiers in Bioinformatics|November 7, 2022
Towards rational computational peptide designLiwei Chang, Arup Mondal, Alberto Perez
Journal of Chemical Theory and Computation|October 2, 2024
MELD-Adapt: On-the-Fly Belief Updating in Integrative Molecular DynamicsBhumika Singh, Arup Mondal, Kari Gaalswyk, et al.
Wiley Interdisciplinary Reviews. Computational Molecular Science|April 29, 2024
Revolutionizing Peptide-Based Drug Discovery: Advances in the Post-AlphaFold EraLiwei Chang, Arup Mondal, Bhumika Singh, et al.
Frontiers in Molecular Biosciences|December 16, 2021
Simultaneous Assignment and Structure Determination of Proteins From Sparsely Labeled NMR DatasetsArup Mondal, Alberto Perez
Proceedings of the National Academy of Sciences of the United States of America|September 10, 2015
Accelerating molecular simulations of proteins using Bayesian inference on weak informationAlberto Perez, Justin L MacCallum, Ken A Dill
Proceedings of the National Academy of Sciences of the United States of America|June 4, 2015
Determining protein structures by combining semireliable data with atomistic physical models by Bayesian inferenceJustin L MacCallum, Alberto Perez, Ken A Dill
Angewandte Chemie (International Ed. in English)|December 21, 2022
Ranking Peptide Binders by Affinity with AlphaFoldLiwei Chang, Alberto Perez
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