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Journal of Chemical Theory and Computation
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February 12, 2026
Artificial Intelligence for Direct Prediction of Molecular Dynamics across Chemical Space
Fuchun Ge, Yuxinxin Chen, Pavlo O Dral
Journal of Chemical Theory and Computation
|
April 6, 2023
Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces
Yi-Fan Hou, Fuchun Ge, Pavlo O Dral
Analytical and Bioanalytical Chemistry
|
May 17, 2019
Fluorescent and mass spectrometric evaluation of the phagocytic internalization of a CD47-peptide modified drug-nanocarrier
Chunlan Liu, Danxia Yu, Fuchun Ge, et al.
Analytical Chemistry
|
May 11, 2019
Inhibitory Covalent Labeling and Clickable-Eu-Tagging-Based ICPMS: Measurement of pH-Dependent Absolute Activities of the Cathepsins in Hepatocyte Lysosomes
Caixia Ji, Yong Liang, Fuchun Ge, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2023
Energy-conserving molecular dynamics is not energy conserving
Lina Zhang, Yi-Fan Hou, Fuchun Ge, et al.
Chemical Science
|
December 9, 2021
Choosing the right molecular machine learning potential
Max Pinheiro, Fuchun Ge, Nicolas Ferré, et al.
Analytical Chemistry
|
April 3, 2019
Viruslike Element-Tagged Nanoparticle Inductively Coupled Plasma Mass Spectrometry Signal Multiplier: Membrane Biomarker Mediated Cell Counting
Rong Yuan, Fuchun Ge, Yong Liang, et al.
Journal of Chemical Theory and Computation
|
September 12, 2024
Physics-Informed Active Learning for Accelerating Quantum Chemical Simulations
Yi-Fan Hou, Lina Zhang, Quanhao Zhang, et al.
The Journal of Chemical Physics
|
February 22, 2023
Benchmark of general-purpose machine learning-based quantum mechanical method AIQM1 on reaction barrier heights
Yuxinxin Chen, Yanchi Ou, Peikun Zheng, et al.
Iscience
|
May 17, 2021
Single-cell fucosylation breakdown: Switching fucose to europium
Zhen Liu, Yong Liang, Yang Zhou, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
February 12, 2026
Artificial Intelligence for Direct Prediction of Molecular Dynamics across Chemical Space
Fuchun Ge, Yuxinxin Chen, Pavlo O Dral
Journal of Chemical Theory and Computation
|
April 6, 2023
Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces
Yi-Fan Hou, Fuchun Ge, Pavlo O Dral
Analytical and Bioanalytical Chemistry
|
May 17, 2019
Fluorescent and mass spectrometric evaluation of the phagocytic internalization of a CD47-peptide modified drug-nanocarrier
Chunlan Liu, Danxia Yu, Fuchun Ge, et al.
Analytical Chemistry
|
May 11, 2019
Inhibitory Covalent Labeling and Clickable-Eu-Tagging-Based ICPMS: Measurement of pH-Dependent Absolute Activities of the Cathepsins in Hepatocyte Lysosomes
Caixia Ji, Yong Liang, Fuchun Ge, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2023
Energy-conserving molecular dynamics is not energy conserving
Lina Zhang, Yi-Fan Hou, Fuchun Ge, et al.
Chemical Science
|
December 9, 2021
Choosing the right molecular machine learning potential
Max Pinheiro, Fuchun Ge, Nicolas Ferré, et al.
Analytical Chemistry
|
April 3, 2019
Viruslike Element-Tagged Nanoparticle Inductively Coupled Plasma Mass Spectrometry Signal Multiplier: Membrane Biomarker Mediated Cell Counting
Rong Yuan, Fuchun Ge, Yong Liang, et al.
Journal of Chemical Theory and Computation
|
September 12, 2024
Physics-Informed Active Learning for Accelerating Quantum Chemical Simulations
Yi-Fan Hou, Lina Zhang, Quanhao Zhang, et al.
The Journal of Chemical Physics
|
February 22, 2023
Benchmark of general-purpose machine learning-based quantum mechanical method AIQM1 on reaction barrier heights
Yuxinxin Chen, Yanchi Ou, Peikun Zheng, et al.
Iscience
|
May 17, 2021
Single-cell fucosylation breakdown: Switching fucose to europium
Zhen Liu, Yong Liang, Yang Zhou, et al.
Page
of 2