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Journal of Chemical Information and Modeling|June 11, 2025
Hypershape Recognition: A General Framework for Moment-Based Molecular SimilarityMarcello Costamagna, Marco Foscato, David Grellscheid, et al.Journal of Chemical Information and Modeling|May 19, 2026
3DOpt: Benchmark for Automated Design of 3D Molecular Structures across the Periodic TableMarcello Costamagna, Morgan Thomas, Marco Foscato, et al.Journal of Chemical Information and Modeling|September 4, 2019
DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic MoleculesMarco Foscato, Vishwesh Venkatraman, Vidar R JensenJournal of Chemical Information and Modeling|May 14, 2015
Integration of Ligand Field Molecular Mechanics in TinkerMarco Foscato, Robert J Deeth, Vidar R JensenJournal of Chemical Information and Modeling|January 22, 2024
Automated de Novo Design of Olefin Metathesis Catalysts: Computational and Experimental Analysis of a Simple Thermodynamic Design CriterionMarco Foscato, Giovanni Occhipinti, Sondre H Hopen Eliasson, et al.Journal of Chemical Information and Modeling|February 18, 2014
Automated design of realistic organometallic molecules from fragmentsMarco Foscato, Giovanni Occhipinti, Vishwesh Venkatraman, et al.Journal of Chemical Information and Modeling|July 8, 2014
Automated building of organometallic complexes from 3D fragmentsMarco Foscato, Vishwesh Venkatraman, Giovanni Occhipinti, et al.Journal of Chemical Information and Modeling|September 2, 2015
Ring Closure To Form Metal Chelates in 3D Fragment-Based de Novo DesignMarco Foscato, Benjamin J Houghton, Giovanni Occhipinti, et al.ACS Catalysis|October 30, 2020
Challenging Metathesis Catalysts with Nucleophiles and Brønsted Base: Examining the Stability of State-of-the-Art Ruthenium Carbene Catalysts to Attack by AminesDaniel L Nascimento, Immanuel Reim, Marco Foscato, et al.Journal of the American Chemical Society|July 16, 2021
Bimolecular Coupling in Olefin Metathesis: Correlating Structure and Decomposition for Leading and Emerging Ruthenium-Carbene CatalystsDaniel L Nascimento, Marco Foscato, Giovanni Occhipinti, et al.Pageof 5