Clemens Isert

8PUBLICATIONS
22CO-AUTHORS
Proteins and peptidesBiomolecular modelling and designChemical and thermal processes in energy and combustionCheminformatics and quantitative structure-activity relationshipsTheoretical quantum chemistry
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Publications (8)

|Jul 31, 2024
PICKAPEP: An application for parameter calculation and visualization of cyclized and modified peptidomimetics.

Vanessa Erckes, Mattis Hilleke, Clemens Isert

|Apr 22, 2024
Prospective de novo drug design with deep interactome learning.

Kenneth Atz, Leandro Cotos, Clemens Isert

|Feb 05, 2024
Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning.

Clemens Isert, Kenneth Atz, Sereina Riniker

|Nov 21, 2023
Identifying opportunities for late-stage C-H alkylation with high-throughput experimentation and in silico reaction screening.

David F Nippa, Kenneth Atz, Alex T Müller

|Jan 23, 2023
Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug Lipophilicity.

Clemens Isert, Jimmy C Kromann, Nikolaus Stiefl

|May 16, 2022
Translating from Proteins to Ribonucleic Acids for Ligand-binding Site Detection.

Lukas Möller, Lorenzo Guerci, Clemens Isert

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Frequent Collaborators

7 joint publications

Gisbert Schneider

4 joint publications

Kenneth Atz

3 joint publications

David F Nippa

3 joint publications

Mattis Hilleke