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Journal of Chemical Theory and Computation|July 28, 2025
Transferring Knowledge from MM to QM: A Graph Neural Network-Based Implicit Solvent Model for Small Organic MoleculesPaul Katzberger, Felix Pultar, Sereina Riniker
Organic Letters|December 17, 2016
Palladium-Catalyzed α-Arylation of Vinylogous Esters for the Synthesis of γ,γ-Disubstituted CyclohexenonesThomas Johnson, Felix Pultar, Friedericke Menke, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 16, 2024
Experimental and Theoretical Studies on the Reactions of Aliphatic Imines with IsocyanatesEtienne Cotter, Felix Pultar, Sereina Riniker, et al.
Journal of Computational Chemistry|February 7, 2025
A Robust and Versatile QM/MM Interface for Molecular Dynamics in GROMOSPeter Poliak, Patrick Bleiziffer, Felix Pultar, et al.
Chimia|June 1, 2026
Leveraging the Potential of Machine-Learning Interatomic Potentials for QM/MM SimulationsAntonia S Kuhn, Igor Gordiy, Felix Pultar, et al.
Journal of the American Chemical Society|July 1, 2026
Multiscale Neural Network Potential with Anisotropic Message Passing for the Fast and Accurate Simulation of Protein Dynamics and Enzymatic ReactionsMoritz Thürlemann, Felix Pultar, Igor Gordiy, et al.
Journal of the American Chemical Society|February 17, 2025
Neural Network Potential with Multiresolution Approach Enables Accurate Prediction of Reaction Free Energies in SolutionFelix Pultar, Moritz Thürlemann, Igor Gordiy, et al.
Inorganic Chemistry|October 11, 2016
Electrocrystallization: A Synthetic Method for Intermetallic Phases with Polar Metal-Metal BondingFrank Tambornino, Jonathan Sappl, Felix Pultar, et al.
International Journal of Molecular Sciences|February 13, 2025
Mutanobactin-D, a <i>Streptococcus mutans</i> Non-Ribosomal Cyclic Lipopeptide, Induces Osteogenic/Odontogenic Differentiation of Human Dental Pulp Stem Cells and Human Bone Marrow Stem CellsSandra Nikolic, Giuseppe Alastra, Felix Pultar, et al.
Journal of the American Chemical Society|July 2, 2021
Mutanobactin D from the Human Microbiome: Total Synthesis, Configurational Assignment, and Biological EvaluationFelix Pultar, Moritz E Hansen, Susanne Wolfrum, et al.
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