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Clemens Isert

Showing results (1-10 of 11) with videos related to

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Current Opinion in Structural Biology|February 26, 2023
Structure-based drug design with geometric deep learningClemens Isert, Kenneth Atz, Gisbert Schneider
Journal of Peptide Science : an Official Publication of the European Peptide Society|July 31, 2024
PICKAPEP: An application for parameter calculation and visualization of cyclized and modified peptidomimeticsVanessa Erckes, Mattis Hilleke, Clemens Isert, et al.
RSC Advances|February 5, 2024
Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learningClemens Isert, Kenneth Atz, Sereina Riniker, et al.
Scientific Data|June 7, 2022
QMugs, quantum mechanical properties of drug-like moleculesClemens Isert, Kenneth Atz, José Jiménez-Luna, et al.
Molecular Informatics|May 16, 2022
Translating from Proteins to Ribonucleic Acids for Ligand-binding Site DetectionLukas Möller, Lorenzo Guerci, Clemens Isert, et al.
ACS Omega|January 23, 2023
Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug LipophilicityClemens Isert, Jimmy C Kromann, Nikolaus Stiefl, et al.
Physical Chemistry Chemical Physics : PCCP|April 26, 2022
Δ-Quantum machine-learning for medicinal chemistryKenneth Atz, Clemens Isert, Markus N A Böcker, et al.
RSC Advances|November 21, 2024
Combining <i>de novo</i> molecular design with semiempirical protein-ligand binding free energy calculationMichael Iff, Kenneth Atz, Clemens Isert, et al.
Communications Chemistry|November 21, 2023
Identifying opportunities for late-stage C-H alkylation with high-throughput experimentation and in silico reaction screeningDavid F Nippa, Kenneth Atz, Alex T Müller, et al.
Nature Communications|January 17, 2025
Author Correction: Prospective de novo drug design with deep interactome learningKenneth Atz, Leandro Cotos, Clemens Isert, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
Current Opinion in Structural Biology|February 26, 2023
Structure-based drug design with geometric deep learningClemens Isert, Kenneth Atz, Gisbert Schneider
Journal of Peptide Science : an Official Publication of the European Peptide Society|July 31, 2024
PICKAPEP: An application for parameter calculation and visualization of cyclized and modified peptidomimeticsVanessa Erckes, Mattis Hilleke, Clemens Isert, et al.
RSC Advances|February 5, 2024
Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learningClemens Isert, Kenneth Atz, Sereina Riniker, et al.
Scientific Data|June 7, 2022
QMugs, quantum mechanical properties of drug-like moleculesClemens Isert, Kenneth Atz, José Jiménez-Luna, et al.
Molecular Informatics|May 16, 2022
Translating from Proteins to Ribonucleic Acids for Ligand-binding Site DetectionLukas Möller, Lorenzo Guerci, Clemens Isert, et al.
ACS Omega|January 23, 2023
Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug LipophilicityClemens Isert, Jimmy C Kromann, Nikolaus Stiefl, et al.
Physical Chemistry Chemical Physics : PCCP|April 26, 2022
Δ-Quantum machine-learning for medicinal chemistryKenneth Atz, Clemens Isert, Markus N A Böcker, et al.
RSC Advances|November 21, 2024
Combining <i>de novo</i> molecular design with semiempirical protein-ligand binding free energy calculationMichael Iff, Kenneth Atz, Clemens Isert, et al.
Communications Chemistry|November 21, 2023
Identifying opportunities for late-stage C-H alkylation with high-throughput experimentation and in silico reaction screeningDavid F Nippa, Kenneth Atz, Alex T Müller, et al.
Nature Communications|January 17, 2025
Author Correction: Prospective de novo drug design with deep interactome learningKenneth Atz, Leandro Cotos, Clemens Isert, et al.
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