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Lars A Bratholm

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

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Chemical Science|April 29, 2017
Protein structure refinement using a quantum mechanics-based chemical shielding predictorLars A Bratholm, Jan H Jensen
Peerj|April 1, 2015
Bayesian inference of protein structure from chemical shift dataLars A Bratholm, Anders S Christensen, Thomas Hamelryck, et al.
Chemical Science|February 15, 2020
Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matricesStephanie R Hare, Lars A Bratholm, David R Glowacki, et al.
The Journal of Chemical Physics|February 3, 2020
FCHL revisited: Faster and more accurate quantum machine learningAnders S Christensen, Lars A Bratholm, Felix A Faber, et al.
The Journal of Chemical Physics|October 23, 2020
Training atomic neural networks using fragment-based data generated in virtual realitySilvia Amabilino, Lars A Bratholm, Simon J Bennie, et al.
Peerj|December 2, 2015
ProCS15: a DFT-based chemical shift predictor for backbone and Cβ atoms in proteinsAnders S Larsen, Lars A Bratholm, Anders S Christensen, et al.
The Journal of Physical Chemistry. A|March 21, 2019
Training Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual RealitySilvia Amabilino, Lars A Bratholm, Simon J Bennie, et al.
Chemical Science|March 20, 2020
IMPRESSION - prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracyWill Gerrard, Lars A Bratholm, Martin J Packer, et al.
Journal of Chemical Information and Modeling|August 5, 2024
Streamlining NMR Chemical Shift Predictions for Intrinsically Disordered Proteins: Design of Ensembles with Dimensionality Reduction and ClusteringMichael J Bakker, Amina Gaffour, Martin Juhás, et al.
Plos One|July 20, 2021
A community-powered search of machine learning strategy space to find NMR property prediction modelsLars A Bratholm, Will Gerrard, Brandon Anderson, et al.
Pageof 1

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

Sort By:
Pageof 1
Chemical Science|April 29, 2017
Protein structure refinement using a quantum mechanics-based chemical shielding predictorLars A Bratholm, Jan H Jensen
Peerj|April 1, 2015
Bayesian inference of protein structure from chemical shift dataLars A Bratholm, Anders S Christensen, Thomas Hamelryck, et al.
Chemical Science|February 15, 2020
Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matricesStephanie R Hare, Lars A Bratholm, David R Glowacki, et al.
The Journal of Chemical Physics|February 3, 2020
FCHL revisited: Faster and more accurate quantum machine learningAnders S Christensen, Lars A Bratholm, Felix A Faber, et al.
The Journal of Chemical Physics|October 23, 2020
Training atomic neural networks using fragment-based data generated in virtual realitySilvia Amabilino, Lars A Bratholm, Simon J Bennie, et al.
Peerj|December 2, 2015
ProCS15: a DFT-based chemical shift predictor for backbone and Cβ atoms in proteinsAnders S Larsen, Lars A Bratholm, Anders S Christensen, et al.
The Journal of Physical Chemistry. A|March 21, 2019
Training Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual RealitySilvia Amabilino, Lars A Bratholm, Simon J Bennie, et al.
Chemical Science|March 20, 2020
IMPRESSION - prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracyWill Gerrard, Lars A Bratholm, Martin J Packer, et al.
Journal of Chemical Information and Modeling|August 5, 2024
Streamlining NMR Chemical Shift Predictions for Intrinsically Disordered Proteins: Design of Ensembles with Dimensionality Reduction and ClusteringMichael J Bakker, Amina Gaffour, Martin Juhás, et al.
Plos One|July 20, 2021
A community-powered search of machine learning strategy space to find NMR property prediction modelsLars A Bratholm, Will Gerrard, Brandon Anderson, et al.
Pageof 1