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Sarah Maier

Showing results (1-10 of 44) with videos related to

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Physical Chemistry Chemical Physics : PCCP|February 14, 2020
G4 accuracy at DFT cost: unlocking accurate redox potentials for organic molecules using systematic error cancellationSarah Maier, Bishnu Thapa, Krishnan Raghavachari
Journal of Chemical Information and Modeling|February 1, 2024
Leveraging DFT and Molecular Fragmentation for Chemically Accurate p<i>K</i><sub>a</sub> Prediction Using Machine LearningAlec J Sanchez, Sarah Maier, Krishnan Raghavachari
The Journal of Physical Chemistry. A|April 4, 2023
Quantitative Prediction of Vertical Ionization Potentials from DFT via a Graph-Network-Based Delta Machine Learning Model Incorporating Electronic DescriptorsSarah Maier, Eric M Collins, Krishnan Raghavachari
Physical Chemistry Chemical Physics : PCCP|June 6, 2022
Comparative assessment of QM-based and MM-based models for prediction of protein-ligand binding affinity trendsSarah Maier, Bishnu Thapa, Jon Erickson, et al.
The Journal of Chemical Physics|June 1, 2026
Physics-informed machine learning model for accurate prediction of electron affinitiesDebashis Swain, Surya Sekhar Manna, Sarah Maier, et al.
Frontiers in Medicine|December 17, 2020
Polypharmacy in Middle-European Rheumatoid Arthritis-Patients: A Retrospective Longitudinal Cohort Analysis With Systematic Literature ReviewJacqueline Désirée Jack, Rick McCutchan, Sarah Maier, et al.
Journal of Chemical Theory and Computation|March 26, 2024
Toward Post-Hartree-Fock Accuracy for Protein-Ligand Affinities Using the Molecules-in-Molecules Fragmentation-Based MethodAnkur K Gupta, Sarah Maier, Bishnu Thapa, et al.
Acta Dermato-Venereologica|August 18, 2025
The Hidden Socioeconomic Toll of Severe Hidradenitis SuppurativaFlorian Regensberger, Fiona André, Sarah Maier, et al.
Plastic and Reconstructive Surgery. Global Open|March 31, 2022
Free Flap Outcome in Irradiated Recipient Sites: A Systematic Review and Meta-analysisChristoph Tasch, Alexander Pattiss, Sarah Maier, et al.
Journal of Chemical Theory and Computation|June 20, 2023
Approaching Coupled Cluster Accuracy with Density Functional Theory Using the Generalized Connectivity-Based HierarchyKrishnan Raghavachari, Sarah Maier, Eric M Collins, et al.
Pageof 5

Showing results (1-10 of 44) with videos related to

Sort By:
Pageof 5
Physical Chemistry Chemical Physics : PCCP|February 14, 2020
G4 accuracy at DFT cost: unlocking accurate redox potentials for organic molecules using systematic error cancellationSarah Maier, Bishnu Thapa, Krishnan Raghavachari
Journal of Chemical Information and Modeling|February 1, 2024
Leveraging DFT and Molecular Fragmentation for Chemically Accurate p<i>K</i><sub>a</sub> Prediction Using Machine LearningAlec J Sanchez, Sarah Maier, Krishnan Raghavachari
The Journal of Physical Chemistry. A|April 4, 2023
Quantitative Prediction of Vertical Ionization Potentials from DFT via a Graph-Network-Based Delta Machine Learning Model Incorporating Electronic DescriptorsSarah Maier, Eric M Collins, Krishnan Raghavachari
Physical Chemistry Chemical Physics : PCCP|June 6, 2022
Comparative assessment of QM-based and MM-based models for prediction of protein-ligand binding affinity trendsSarah Maier, Bishnu Thapa, Jon Erickson, et al.
The Journal of Chemical Physics|June 1, 2026
Physics-informed machine learning model for accurate prediction of electron affinitiesDebashis Swain, Surya Sekhar Manna, Sarah Maier, et al.
Frontiers in Medicine|December 17, 2020
Polypharmacy in Middle-European Rheumatoid Arthritis-Patients: A Retrospective Longitudinal Cohort Analysis With Systematic Literature ReviewJacqueline Désirée Jack, Rick McCutchan, Sarah Maier, et al.
Journal of Chemical Theory and Computation|March 26, 2024
Toward Post-Hartree-Fock Accuracy for Protein-Ligand Affinities Using the Molecules-in-Molecules Fragmentation-Based MethodAnkur K Gupta, Sarah Maier, Bishnu Thapa, et al.
Acta Dermato-Venereologica|August 18, 2025
The Hidden Socioeconomic Toll of Severe Hidradenitis SuppurativaFlorian Regensberger, Fiona André, Sarah Maier, et al.
Plastic and Reconstructive Surgery. Global Open|March 31, 2022
Free Flap Outcome in Irradiated Recipient Sites: A Systematic Review and Meta-analysisChristoph Tasch, Alexander Pattiss, Sarah Maier, et al.
Journal of Chemical Theory and Computation|June 20, 2023
Approaching Coupled Cluster Accuracy with Density Functional Theory Using the Generalized Connectivity-Based HierarchyKrishnan Raghavachari, Sarah Maier, Eric M Collins, et al.
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