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Current Opinion in Structural Biology
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February 26, 2023
Structure-based drug design with geometric deep learning
Clemens Isert, Kenneth Atz, Gisbert Schneider
Methods in Molecular Biology (Clifton, N.J.)
|
September 24, 2022
Machine Learning and Computational Chemistry for the Endocannabinoid System
Kenneth Atz, Wolfgang Guba, Uwe Grether, et al.
RSC Advances
|
February 5, 2024
Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning
Clemens Isert, Kenneth Atz, Sereina Riniker, et al.
Scientific Data
|
June 7, 2022
QMugs, quantum mechanical properties of drug-like molecules
Clemens Isert, Kenneth Atz, José Jiménez-Luna, et al.
Molecular Informatics
|
May 16, 2022
Translating from Proteins to Ribonucleic Acids for Ligand-binding Site Detection
Lukas Möller, Lorenzo Guerci, Clemens Isert, et al.
Journal of Biomolecular NMR
|
July 5, 2020
NMR pseudocontact shifts in a symmetric protein homotrimer
Thomas Müntener, Raphael Böhm, Kenneth Atz, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 26, 2022
Δ-Quantum machine-learning for medicinal chemistry
Kenneth Atz, Clemens Isert, Markus N A Böcker, et al.
Journal of the American Chemical Society
|
January 12, 2019
Mechanical Stabilization of Helical Chirality in a Macrocyclic Oligothiophene
Kevin J Weiland, Thomas Brandl, Kenneth Atz, et al.
Molecular Informatics
|
December 18, 2024
Protein Binding Site Representation in Latent Space
Frederieke Lohmann, Stephan Allenspach, Kenneth Atz, et al.
RSC Medicinal Chemistry
|
October 30, 2025
Accelerating compound synthesis in drug discovery: the role of digitalisation and automation
David F Nippa, Alexander J Boddy, Kenneth Atz, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 32) with videos related to
Sort By:
Page
of 4
Current Opinion in Structural Biology
|
February 26, 2023
Structure-based drug design with geometric deep learning
Clemens Isert, Kenneth Atz, Gisbert Schneider
Methods in Molecular Biology (Clifton, N.J.)
|
September 24, 2022
Machine Learning and Computational Chemistry for the Endocannabinoid System
Kenneth Atz, Wolfgang Guba, Uwe Grether, et al.
RSC Advances
|
February 5, 2024
Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning
Clemens Isert, Kenneth Atz, Sereina Riniker, et al.
Scientific Data
|
June 7, 2022
QMugs, quantum mechanical properties of drug-like molecules
Clemens Isert, Kenneth Atz, José Jiménez-Luna, et al.
Molecular Informatics
|
May 16, 2022
Translating from Proteins to Ribonucleic Acids for Ligand-binding Site Detection
Lukas Möller, Lorenzo Guerci, Clemens Isert, et al.
Journal of Biomolecular NMR
|
July 5, 2020
NMR pseudocontact shifts in a symmetric protein homotrimer
Thomas Müntener, Raphael Böhm, Kenneth Atz, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 26, 2022
Δ-Quantum machine-learning for medicinal chemistry
Kenneth Atz, Clemens Isert, Markus N A Böcker, et al.
Journal of the American Chemical Society
|
January 12, 2019
Mechanical Stabilization of Helical Chirality in a Macrocyclic Oligothiophene
Kevin J Weiland, Thomas Brandl, Kenneth Atz, et al.
Molecular Informatics
|
December 18, 2024
Protein Binding Site Representation in Latent Space
Frederieke Lohmann, Stephan Allenspach, Kenneth Atz, et al.
RSC Medicinal Chemistry
|
October 30, 2025
Accelerating compound synthesis in drug discovery: the role of digitalisation and automation
David F Nippa, Alexander J Boddy, Kenneth Atz, et al.
Page
of 4