Generative Recurrent Networks for De Novo Drug Design A Gupta, AT Müller, B Huisman, JA Fuchs, P Schneider, G Schneider Molecular Informatics 36, 2017 | 496 | 2017 |
Recurrent Neural Network Model for Constructive Peptide Design AT Müller, JA Hiss, G Schneider Journal of Chemical Information and Modeling, 2018 | 203 | 2018 |
modlAMP: Python for antimicrobial peptides AT Müller, G Gabernet, JA Hiss, G Schneider Bioinformatics 33 (17), 2753–2755, 2017 | 136 | 2017 |
Designing anticancer peptides by constructive machine learning F Grisoni, CS Neuhaus, G Gabernet, AT Müller, JA Hiss, G Schneider ChemMedChem 13 (13), 1300-1302, 2018 | 88 | 2018 |
Membranolytic anticancer peptides G Gabernet, AT Müller, JA Hiss, G Schneider MedChemComm 7 (12), 2232-2245, 2016 | 87 | 2016 |
Hybrid network model for “deep learning” of chemical data: application to antimicrobial peptides P Schneider, AT Müller, G Gabernet, AL Button, G Posselt, S Wessler, ... Molecular informatics 36 (1-2), 1600011, 2017 | 53 | 2017 |
In silico design and optimization of selective membranolytic anticancer peptides GS G Gabernet, D Gautschi, AT Müller, CS Neuhaus, L Armbrecht, PS Dittrich ... Scientific Reports, 2019 | 48 | 2019 |
Rational Design of Membrane‐Pore‐Forming Peptides M Pillong, JA Hiss, P Schneider, YC Lin, G Posselt, B Pfeiffer, M Blatter, ... Small 13 (40), 1701316, 2017 | 32 | 2017 |
Sparse Neural Network Models of Antimicrobial Peptide‐Activity Relationships AT Müller, AC Kaymaz, G Gabernet, G Posselt, S Wessler, JA Hiss, ... Molecular Informatics 35 (11-12), 606-614, 2016 | 23 | 2016 |
Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning DF Nippa, K Atz, R Hohler, AT Müller, A Marx, C Bartelmus, G Wuitschik, ... Nature Chemistry, 1-10, 2023 | 17 | 2023 |
Peptide–Membrane Interaction between Targeting and Lysis K Stutz, AT Müller, JA Hiss, P Schneider, M Blatter, B Pfeiffer, G Posselt, ... ACS Chemical Biology 12 (9), 2254-2259, 2017 | 14 | 2017 |
Morphing of Amphipathic Helices to Explore the Activity and Selectivity of Membranolytic Antimicrobial Peptides AT Müller, G Posselt, G Gabernet, C Neuhaus, S Bachler, M Blatter, ... Biochemistry, 2020 | 5 | 2020 |
Identifying opportunities for late-stage C-H alkylation with high-throughput experimentation and in silico reaction screening GS David F. Nippa, Kenneth Atz, Alex T. Müller, Jens Wolfard, Clemens Isert ... Communications Chemistry 6 (256), 2023 | 3 | 2023 |
G-PLIP: Knowledge graph neural network for structure-free protein-ligand bioactivity prediction SJ Crouzet, AM Lieberherr, K Atz, T Nilsson, L Sach-Peltason, AT Müller, ... bioRxiv, 2023.09. 01.555977, 2023 | 2 | 2023 |
Graph transformer neural network for chemical reactivity prediction DF Nippa, K Atz, AT Müller, J Wolfard, C Isert, M Binder, O Scheidegger, ... | 2 | 2023 |
Front Cover: Designing Anticancer Peptides by Constructive Machine Learning (ChemMedChem 13/2018) F Grisoni, CS Neuhaus, G Gabernet, AT Müller, JA Hiss, G Schneider ChemMedChem 13 (13), 1260-1260, 2018 | 2 | 2018 |
De novo design of antimicrobial peptides: from sequence templates to artificial intelligence AT Müller PhD Thesis, 2018 | 2 | 2018 |
Small-Molecule-Directed Endogenous Regeneration of Visual Function in a Mammalian Retinal Degeneration Model D Mokady, J Charish, P Barretto-Burns, KN Grisé, BLK Coles, S Raab, ... International Journal of Molecular Sciences 25 (3), 1521, 2024 | | 2024 |
New compounds and their use as therapeutically active substances in the treatment and/or prevention of diseases involving the retinal pigment epithelium M Steger, A Mueller, M Marigo US Patent App. 18/030,917, 2023 | | 2023 |
Simple User-Friendly Reaction Format DF Nippa, AT Müller, K Atz, DB Konrad, U Grether, RE Martin, ... | | 2023 |