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- 2023
-
Mark
Comparison of force fields to study the zinc-finger containing protein NPL4, a target for disulfiram in cancer therapy
(
- Contribution to journal › Article
- 2021
-
Mark
Quantum computing and computational law
(
- Contribution to journal › Article
-
Mark
Deep learning for inverse problems in quantum mechanics
(
- Contribution to journal › Article
-
Mark
Computational Atomic Structures Toward Heavy Element Research
2021)(
- Thesis › Doctoral thesis (compilation)
- 2019
-
Mark
Superconductivity in the presence of magnetic steps
2019)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Structure and Energetics of Ligand–Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides : Insight into Solvation Effects and Multipolar Interactions
(
- Contribution to journal › Article
- 2018
-
Mark
An Efficient Algorithm for Matrix-Valued and Vector-Valued Optimal Mass Transport
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- Contribution to journal › Article
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Mark
Regularization and Interpolation of Positive Matrices
(
- Contribution to journal › Article
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Mark
Nonclassical Hydrophobic Effect in Micellization : Molecular Arrangement of Non-Amphiphilic Structures
(
- Contribution to journal › Article
- 2016
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Mark
Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level
(
- Contribution to journal › Article
-
Mark
Electric interactions: A study of cellulose
2016)(
- Thesis › Doctoral thesis (compilation)
- 2015
-
Mark
Multiscale Modeling of the Active Site of [Fe] Hydrogenase: The H-2 Binding Site in Open and Closed Protein Conformations
(
- Contribution to journal › Article
- 2013
-
Mark
Theoretical Studies of the Active-Site Structure, Spectroscopic and Thermodynamic Properties, and Reaction Mechanism of Multicopper Oxidases
(
- Contribution to journal › Scientific review
- 2011
-
Mark
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings
(
- Contribution to journal › Article
- 2007
-
Mark
On the Use of Laser-Induced Incandescence for Soot Diagnostics: From Theoretical Aspects to Applications in Engines
2007)(
- Thesis › Doctoral thesis (compilation)