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Benchmark of general-purpose machine learning-based quantum mechanical method AIQM1 on reaction barrier heights

The Journal of chemical physics, 2023-02, Vol.158 (7), p.074103-074103

Dral, Pavlo O.

2023

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Interpretable Machine Learning of Two‐Photon Absorption

Advanced science, 2023-03, Vol.10 (8), p.e2204902-n/a

2023

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Single-cell fucosylation breakdown: Switching fucose to europium

iScience, 2021-05, Vol.24 (5), p.102397-102397, Article 102397

2021

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Choosing the right molecular machine learning potential

Chemical science (Cambridge), 2021-11, Vol.12 (43), p.14396-14413

2021

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Identification and antioxidant activity of bovine bone collagen-derived novel peptides prepared by recombinant collagenase from Bacillus cereus

Food chemistry, 2021-07, Vol.349, p.129143-129143, Article 129143

2021

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Inhibitory Covalent Labeling and Clickable-Eu-Tagging-Based ICPMS: Measurement of pH-Dependent Absolute Activities of the Cathepsins in Hepatocyte Lysosomes

Analytical chemistry (Washington), 2019-06, Vol.91 (11), p.7032-7038

2019

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Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces

Journal of chemical theory and computation, 2023-04, Vol.19 (8), p.2369-2379

2023

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Energy-conserving molecular dynamics is not energy conserving

Physical chemistry chemical physics : PCCP, 2023-09, Vol.25 (35), p.23467-23476

2023

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Viruslike Element-Tagged Nanoparticle Inductively Coupled Plasma Mass Spectrometry Signal Multiplier: Membrane Biomarker Mediated Cell Counting

Analytical chemistry (Washington), 2019-04, Vol.91 (8), p.4948-4952

2019

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Fluorescent and mass spectrometric evaluation of the phagocytic internalization of a CD47-peptide modified drug-nanocarrier

Analytical and bioanalytical chemistry, 2019-07, Vol.411 (18), p.4193-4202

2019

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Four-Dimensional-Spacetime Atomistic Artificial Intelligence Models

The journal of physical chemistry letters, 2023-08, Vol.14 (34), p.7732-7743

2023

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MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning Methods

Journal of chemical theory and computation, 2024-06, Vol.20 (12), p.5043-5057

2024

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Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training Exemplified for Glycine

The journal of physical chemistry letters, 2024-04, Vol.15 (16), p.4451-4460

2024

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MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows

Journal of chemical theory and computation, 2024-02, Vol.20 (3), p.1193-1213

2024

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MLatom 2: An Integrative Platform for Atomistic Machine Learning

Topics in current chemistry (2016), 2021-08, Vol.379 (4), p.27-27, Article 27

2021

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MLatom 2: An Integrative Platform for Atomistic Machine Learning

New Horizons in Computational Chemistry Software, 2022, p.13-53

2022

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Provable and Practical Security: 16th International Conference, ProvSec 2022, Nanjing, China, November 11-12, 2022, Proceedings

1st ed. 2022., 2022

Volltextzugriff (PDF)

Pheophytin Derived Near‐Infrared‐Light Responsive Carbon Dot Assembly as a New Phototheranotic Agent for Bioimaging and Photodynamic Therapy

Chemistry, an Asian journal, 2019-06, Vol.14 (12), p.2162-2168

2019

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Iron phthalocyanine-derived nanozyme as dual reactive oxygen species generation accelerator for photothermally enhanced tumor catalytic therapy

Biomaterials, 2022-05, Vol.284, p.121495-121495, Article 121495

2022

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Knowledge-Based Embodied Question Answering

IEEE transactions on pattern analysis and machine intelligence, 2023-10, Vol.45 (10), p.11948-11960

2023

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A Versatile Nanozyme‐Based NADH Circulating Oxidation Reactor for Tumor Therapy through Triple Cellular Metabolism Disruption

Small (Weinheim an der Bergstrasse, Germany), 2024-06, Vol.20 (26), p.e2311027-n/a

2024

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Lattice-Based Public Key Cryptosystems Invoking Linear Mapping Mask

Provable and Practical Security, 2022, p.88-104

2022

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Recent advances and prospects of carbon dots in cancer nanotheranostics

Materials chemistry frontiers, 2020-02, Vol.4 (2), p.449-471

2020

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Certificateless aggregate signature scheme secure against fully chosen-key attacks

Information sciences, 2020-04, Vol.514, p.288-301

2020

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Red Emissive Carbon Dots Prepared from Polymers as an Efficient Nanocarrier for Coptisine Delivery in vivo and in vitro

ChemMedChem, 2021-02, Vol.16 (4), p.646-653

2021

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Benchmark of general-purpose machine learning-based quantum mechanical method AIQM1 on reaction barrier heights

Interpretable Machine Learning of Two‐Photon Absorption

Single-cell fucosylation breakdown: Switching fucose to europium

Choosing the right molecular machine learning potential

Identification and antioxidant activity of bovine bone collagen-derived novel peptides prepared by recombinant collagenase from Bacillus cereus

Inhibitory Covalent Labeling and Clickable-Eu-Tagging-Based ICPMS: Measurement of pH-Dependent Absolute Activities of the Cathepsins in Hepatocyte Lysosomes

Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces

Energy-conserving molecular dynamics is not energy conserving

Viruslike Element-Tagged Nanoparticle Inductively Coupled Plasma Mass Spectrometry Signal Multiplier: Membrane Biomarker Mediated Cell Counting

Fluorescent and mass spectrometric evaluation of the phagocytic internalization of a CD47-peptide modified drug-nanocarrier

Four-Dimensional-Spacetime Atomistic Artificial Intelligence Models

MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning Methods

Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training Exemplified for Glycine

MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows

MLatom 2: An Integrative Platform for Atomistic Machine Learning

MLatom 2: An Integrative Platform for Atomistic Machine Learning

Provable and Practical Security: 16th International Conference, ProvSec 2022, Nanjing, China, November 11-12, 2022, Proceedings

Pheophytin Derived Near‐Infrared‐Light Responsive Carbon Dot Assembly as a New Phototheranotic Agent for Bioimaging and Photodynamic Therapy

Iron phthalocyanine-derived nanozyme as dual reactive oxygen species generation accelerator for photothermally enhanced tumor catalytic therapy

Knowledge-Based Embodied Question Answering

A Versatile Nanozyme‐Based NADH Circulating Oxidation Reactor for Tumor Therapy through Triple Cellular Metabolism Disruption

Lattice-Based Public Key Cryptosystems Invoking Linear Mapping Mask

Recent advances and prospects of carbon dots in cancer nanotheranostics

Certificateless aggregate signature scheme secure against fully chosen-key attacks

Red Emissive Carbon Dots Prepared from Polymers as an Efficient Nanocarrier for Coptisine Delivery in vivo and in vitro

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