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Journal of Cheminformatics|November 19, 2025
Beyond performance: how design choices shape chemical language modelsInken Fender, Jannik Adrian Gut, Thomas LemminJournal of Chemical Information and Modeling|May 12, 2020
RosENet: Improving Binding Affinity Prediction by Leveraging Molecular Mechanics Energies with an Ensemble of 3D Convolutional Neural NetworksHussein Hassan-Harrirou, Ce Zhang, Thomas LemminImmunological Reviews|January 31, 2017
Antibodyomics: bioinformatics technologies for understanding B-cell immunity to HIV-1Peter D Kwong, Gwo-Yu Chuang, Brandon J DeKosky, et al.Mabs|May 14, 2020
Human-likeness of antibody biologics determined by back-translation and comparison with large antibody variable gene repertoiresSamuel Schmitz, Cinque Soto, James E Crowe, et al.Journal of Chemical Theory and Computation|November 22, 2015
Cardiolipin Models for Molecular Simulations of Bacterial and Mitochondrial MembranesThomas Lemmin, Christophe Bovigny, Diane Lançon, et al.Current Opinion in Structural Biology|January 21, 2011
Structural and dynamic mechanisms for the function and inhibition of the M2 proton channel from influenza A virusJun Wang, Jade Xiaoyan Qiu, Cinque Soto, et al.The Journal of Physical Chemistry Letters|August 13, 2016
Effect of the Synaptic Plasma Membrane on the Stability of the Amyloid Precursor Protein HomodimerMartina Audagnotto, Thomas Lemmin, Alessandro Barducci, et al.The Journal of Biological Chemistry|January 29, 2014
Perturbations of the straight transmembrane α-helical structure of the amyloid precursor protein affect its processing by γ-secretaseThomas Lemmin, Mitko Dimitrov, Patrick C Fraering, et al.Journal of Structural Biology: X|October 12, 2020
Structures and dynamics of the novel S1/S2 protease cleavage site loop of the SARS-CoV-2 spike glycoproteinThomas Lemmin, David Kalbermatter, Daniel Harder, et al.Nature Communications|July 6, 2021
Cryo-EM structure and dynamics of the green-light absorbing proteorhodopsinStephan Hirschi, David Kalbermatter, Zöhre Ucurum, et al.Pageof 9