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Frontiers in Molecular Biosciences|December 16, 2021
Simultaneous Assignment and Structure Determination of Proteins From Sparsely Labeled NMR DatasetsArup Mondal, Alberto PerezQRB Discovery|August 2, 2023
Modelling peptide-protein complexes: docking, simulations and machine learningArup Mondal, Liwei Chang, Alberto PerezFrontiers in Bioinformatics|November 7, 2022
Towards rational computational peptide designLiwei Chang, Arup Mondal, Alberto PerezCurrent Opinion in Structural Biology|May 24, 2023
Hybrid computational methods combining experimental information with molecular dynamicsArup Mondal, Stefan Lenz, Justin L MacCallum, et al.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.Journal of Chemical Theory and Computation|July 9, 2024
Protein Retrieval via Integrative Molecular Ensembles (PRIME) through Extended Similarity IndicesLexin Chen, Arup Mondal, Alberto Perez, et al.International Journal of Mass Spectrometry|November 28, 2025
Structural differentiation of protein charge state conformers via gas-phase ion/ion cross-linking mass spectrometryWoo-Young Kang, Arup Mondal, Alberto Perez, et al.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.Plos Computational Biology|November 27, 2023
GENERALIST: A latent space based generative model for protein sequence familiesHoda Akl, Brooke Emison, Xiaochuan Zhao, et al.Pageof 22