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Current Opinion in Structural Biology|January 31, 2026
Machine learning, docking, or physics for structure prediction of ligand-induced ternary complexesRiccardo Solazzo, Shu-Yu Chen, Sereina RinikerJournal of Chemical Theory and Computation|August 20, 2025
Cooperative Free Energy: Induced Protein-Protein Interactions and Cooperative Solvation in Ternary ComplexesShu-Yu Chen, Riccardo Solazzo, Marianne Fouché, et al.Journal of Chemical Theory and Computation|July 13, 2026
Smoother Alchemical Transformations via Enveloping Distribution Sampling for Free-Energy EstimationShu-Yu Chen, Enrico Ruijsenaars, Philippe H Hünenberger, et al.Journal of Chemical Information and Modeling|March 7, 2018
Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An OverviewSereina RinikerJournal of Chemical Information and Modeling|April 4, 2017
Molecular Dynamics Fingerprints (MDFP): Machine Learning from MD Data To Predict Free-Energy DifferencesSereina RinikerChimia|December 2, 2014
Crossing the Boundaries within Computational Chemistry: From Molecular Dynamics to Cheminformatics and backSereina RinikerThe Journal of Chemical Physics|April 8, 2017
Improved accuracy of hybrid atomistic/coarse-grained simulations using reparametrised interactionsAnnick Renevey, Sereina RinikerThe Journal of Physical Chemistry. B|March 28, 2019
Benchmarking Hybrid Atomistic/Coarse-Grained Schemes for Proteins with an Atomistic Water LayerAnnick Renevey, Sereina RinikerThe Journal of Chemical Physics|July 10, 2023
Energy-based clustering: Fast and robust clustering of data with known likelihood functionsMoritz Thürlemann, Sereina RinikerJournal of Chemical Information and Modeling|July 31, 2018
Transition from Academia to Industry and BackAndrea Volkamer, Sereina RinikerPageof 21