JournalsHub
.online
Find My Journal
LB

Lennard Böselt

ETH Zurich CH

12
Publications
276
Citations
7
H-Index
5
i10-Index
0
2yr Mean Cite
True
Cite/Paper
Data combined from OpenAlex . OA = OpenAlex S2 = Semantic Scholar
Verify on Google Scholar

Publication & Citation Trends

Publications

12 total

Regularized by Physics: Graph Neural Network Parametrized Potentials for the Description of Intermolecular Interactions PDF

Moritz Thürlemann, Lennard Böselt, Sereina Riniker - Journal of Chemical Theory and Computation, 2023
Cited by 26 OpenAlex

Improving the IR spectra alignment algorithm with spectra deconvolution and combination with Raman or VCD spectroscopy PDF

Lennard Böselt, Roy Aerts, Wouter Herrebout, Sereina Riniker - Physical Chemistry Chemical Physics, 2022
Cited by 9 OpenAlex

Learning Atomic Multipoles: Prediction of the Electrostatic Potential with Equivariant Graph Neural Networks PDF

Moritz Thürlemann, Lennard Böselt, Sereina Riniker - Journal of Chemical Theory and Computation, 2022
Cited by 0 OpenAlex

Regularized by Physics: Graph Neural Network Parametrized Potentials for the Description of Intermolecular Interactions PDF

Moritz Thürlemann, Lennard Böselt, Sereina Riniker - arXiv (Cornell University), 2022
Cited by 0 OpenAlex

Machine Learning in QM/MM Molecular Dynamics Simulations of Condensed-Phase Systems PDF

Lennard Böselt, Moritz Thürlemann, Sereina Riniker - Journal of Chemical Theory and Computation, 2021
Cited by 153 OpenAlex

Mutanobactin D from the Human Microbiome: Total Synthesis, Configurational Assignment, and Biological Evaluation

Felix Pultar, Moritz Hansen, Susanne Wolfrum, Lennard Böselt, Ricardo Fróis-Martins et al. - Journal of the American Chemical Society, 2021
Cited by 40 OpenAlex

Recent developments in multiscale free energy simulations PDF

Emília P. Barros, Benjamin Ries, Lennard Böselt, Candide Champion, Sereina Riniker - Current Opinion in Structural Biology, 2021
Cited by 8 OpenAlex

CCDC 2082671: Experimental Crystal Structure Determination PDF

Felix Pultar, Moritz Hansen, Susanne Wolfrum, Lennard Böselt, Ricardo Fróis-Martins et al. - The Cambridge Structural Database, 2021
Cited by 0 OpenAlex

Determining the Regiochemistry and Relative Stereochemistry of Small and Druglike Molecules Using an Alignment Algorithm for Infrared Spectra

Lennard Böselt, Reinhard Dötzer, Sandra Steiner, Michaela Stritzinger, Susanne Salzmann et al. - Analytical Chemistry, 2020
Cited by 16 OpenAlex

Determination of Absolute Stereochemistry of Flexible Molecules Using a Vibrational Circular Dichroism Spectra Alignment Algorithm PDF

Lennard Böselt, Dominik Sidler, Tobias Kittelmann, Jürgen Stohner, Daniel Zindel et al. - Journal of Chemical Information and Modeling, 2019
Cited by 17 OpenAlex

Research Topics

Machine Learning in Materials Science (7) Protein Structure and Dynamics (6) Computational Drug Discovery Methods (4) Metabolomics and Mass Spectrometry Studies (3) Molecular spectroscopy and chirality (3)

Affiliations

ETH Zurich
CH 2023 - 2019

External Profiles

OpenAlex Profile Search Semantic Scholar Google Scholar

Share Profile

Back to Researchers
Comparison Shortlist
0 journals
Est. APC Budget: $0
Compare Now