Casper Steinmann

Aalborg University — Denmark

Physics and Astronomy · Physical Sciences

19h-index1.1kcitations106works3.62yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(20), Advanced Chemical Physics Studies(14), Protein Structure and Dynamics(11), Various Chemistry Research Topics(11), Computational Drug Discovery Methods(10)

Publications106 total

CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein
UNC Libraries·2025Open Access
CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2
2025Open Access
Finding Drug Candidate Hits With A Hundred Samples: Ultralow Data Screening With Active Learning
ChemistryEurope·2025Open Access
Adding value to botanical resources: Metabolic network analysis along with high-resolution bioassays screening and UHPLC-qToF-high-resolution MS/MS profiling detail the pharmacological potential of underexplored Latin-American plants
Fitoterapia·2025Open Access
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13
Journal of Chemical Information and Modeling·2025· 8 citedOpen Access
Finding Drug Candidate Hits With a Hundred Samples: Ultra-low Data Screening With Active Learning
2025Open Access
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13
2025Open Access
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13
2025· 2 citedOpen Access
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13
2025· 1 citedOpen Access
CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein
Journal of Chemical Information and Modeling·2024· 23 citedOpen Access
BODIPY-based nanoparticles for highly efficient photothermal/gas synergistic therapy against drug-resistant bacterial infection
Journal of Materials Science·2024· 2 cited
Pd EnCat™ 30 Recycling in Suzuki Cross-Coupling Reactions
Organics·2024· 1 citedOpen Access
Pd EnCat™ 30 Recycling in Suzuki Cross-Coupling Reactions
Preprints.org·2024Open Access
<tt>cclib</tt> 2.0: An updated architecture for interoperable computational chemistry
The Journal of Chemical Physics·2024· 4 citedOpen Access
Prediction of the free energy of binding for cyclodextrin-steroid complexes: phase solubility and molecular dynamics studies
Journal of Inclusion Phenomena and Macrocyclic Chemistry·2024· 11 citedOpen Access
CACHE Challenge #1: targeting the WDR domain of LRRK2, a Parkinson’s Disease associated protein
2024· 5 citedOpen Access
Why is it so difficult to converge MM/GBSA free energies of binding for cyclodextrin inclusion complexes?
VBN Forskningsportal (Aalborg Universitet)·2023
Virtual Screening for Promising Kinetic Stabilizers of Light Chains in Immunoglobulin Light Chain Amyloidosis Through Drug Repurposing
2023Open Access
What is missing in autonomous discovery: Open challenges for the community
arXiv (Cornell University)·2023· 1 citedOpen Access
What is missing in autonomous discovery: open challenges for the community
Digital Discovery·2023· 39 citedOpen Access
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Frequent Co-authors

Jan H. Jensen(22), Jacob Kongsted(12), Jógvan Magnus Haugaard Olsen(11), Jimmy Kromann(6), Hartmut Beck(5), Albina Bolotokova(5), Emanuele Carosati(5), Irene Chau(5), Katrin Denzinger(5), Ian Dunn(5), Kristina Edfeldt(5), A.M. Edwards(5), Pegah Ghiabi(5), Elisa Gibson(5), Rachel Harding(5), Alexander Hillisch(5), Laurent Hoffer(5), Anders Hogner(5), Scott Houliston(5), John J. Irwin(5)