Clemens Isert

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 13

Top Topics

Machine Learning

Top Venues

Nature communications

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Kenneth Atz, Leandro Cotos, Clemens Isert, Maria Håkansson, Dorota Focht, Mattis Hilleke, David F Nippa, Michael Iff, Jann Ledergerber, Carl C G Schiebroek, Valentina Romeo, Jan A Hiss, Daniel Merk, Petra Schneider, Bernd Kuhn, Uwe Grether, Gisbert Schneider
Prospective de novo drug design with deep interactome learning. Nature communications 15 (1) (2024)
Clemens Isert, Kenneth Atz, Sereina Riniker, Gisbert Schneider
Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning. RSC advances 14 (7) (2024)
Vanessa Erckes, Mattis Hilleke, Clemens Isert, Christian Steuer
PICKAPEP: An application for parameter calculation and visualization of cyclized and modified peptidomimetics. Journal of peptide science : an official publication of the European Peptide Society (2024)
Kenneth Atz, Leandro Cotos, Clemens Isert, Maria Håkansson, Dorota Focht, Mattis Hilleke, David F Nippa, Michael Iff, Jann Ledergerber, Carl C G Schiebroek, Valentina Romeo, Jan A Hiss, Daniel Merk, Petra Schneider, Bernd Kuhn, Uwe Grether, Gisbert Schneider
Prospective de novo drug design with deep interactome learning. Nature communications 15 (1) (2024)
Clemens Isert, Kenneth Atz, Sereina Riniker, Gisbert Schneider
Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning. RSC advances 14 (7) (2024)
Kenneth Atz, Leandro Cotos, Clemens Isert, Maria Håkansson, Dorota Focht, Mattis Hilleke, David F Nippa, Michael Iff, Jann Ledergerber, Carl C G Schiebroek, Valentina Romeo, Jan A Hiss, Daniel Merk, Petra Schneider, Bernd Kuhn, Uwe Grether, Gisbert Schneider
Prospective de novo drug design with deep interactome learning. Nature communications 15 (1) (2024)
Kenneth Atz, Leandro Cotos, Clemens Isert, Maria Håkansson, Dorota Focht, Mattis Hilleke, David F Nippa, Michael Iff, Jann Ledergerber, Carl C G Schiebroek, Valentina Romeo, Jan A Hiss, Daniel Merk, Petra Schneider, Bernd Kuhn, Uwe Grether, Gisbert Schneider
Prospective de novo drug design with deep interactome learning. Nature communications 15 (1) (2024)
Kenneth Atz, Leandro Cotos, Clemens Isert, Maria Håkansson, Dorota Focht, Mattis Hilleke, David F Nippa, Michael Iff, Jann Ledergerber, Carl C G Schiebroek, Valentina Romeo, Jan A Hiss, Daniel Merk, Petra Schneider, Bernd Kuhn, Uwe Grether, Gisbert Schneider
Prospective de novo drug design with deep interactome learning. Nature communications 15 (1) (2024)
Clemens Isert, Jimmy C Kromann, Nikolaus Stiefl, Gisbert Schneider, Richard A Lewis
Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug Lipophilicity. ACS omega 8 (2) (2023)
Clemens Isert, Jimmy C Kromann, Nikolaus Stiefl, Gisbert Schneider, Richard A Lewis
Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug Lipophilicity. ACS omega 8 (2) (2023)
David F Nippa, Kenneth Atz, Alex T Müller, Jens Wolfard, Clemens Isert, Martin Binder, Oliver Scheidegger, David B Konrad, Uwe Grether, Rainer E Martin, Gisbert Schneider
Identifying opportunities for late-stage C-H alkylation with high-throughput experimentation and in silico reaction screening. Communications chemistry 6 (1) (2023)
Kenneth Atz, Clemens Isert, Markus N A Böcker, José Jiménez-Luna, Gisbert Schneider
Δ-Quantum machine-learning for medicinal chemistry. Physical chemistry chemical physics : PCCP 24 (18) (2022)
Lukas Möller, Lorenzo Guerci, Clemens Isert, Kenneth Atz, Gisbert Schneider
Translating from Proteins to Ribonucleic Acids for Ligand-binding Site Detection. Molecular informatics 41 (10) (2022)