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Journal of Chemical Theory and Computation
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May 27, 2024
Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm
Jintu Zhang, Odin Zhang, Luigi Bonati, et al.
Journal of Chemical Theory and Computation
|
February 11, 2026
Committors without Descriptors
Peilin Kang, Jintu Zhang, Enrico Trizio, et al.
Journal of Chemical Information and Modeling
|
February 15, 2023
Quasiclassical Trajectory Simulation as a Protocol to Build Locally Accurate Machine Learning Potentials
Jintu Zhang, Haotian Zhang, Zhixin Qin, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 9, 2019
Investigation of ECD conformational transition mechanism of GLP-1R by molecular dynamics simulations and Markov state model
Jintu Zhang, Qifeng Bai, Horacio Pérez-Sánchez, et al.
Chemical Reviews
|
October 22, 2025
Enhanced Sampling in the Age of Machine Learning: Algorithms and Applications
Kai Zhu, Enrico Trizio, Jintu Zhang, et al.
Journal of Chemical Theory and Computation
|
December 12, 2024
Descriptor-Free Collective Variables from Geometric Graph Neural Networks
Jintu Zhang, Luigi Bonati, Enrico Trizio, et al.
The Journal of Physical Chemistry Letters
|
January 26, 2023
Sigmoid Accelerated Molecular Dynamics: An Efficient Enhanced Sampling Method for Biosystems
Yihao Zhao, Jintu Zhang, Haotian Zhang, et al.
Journal of Chemical Theory and Computation
|
February 1, 2024
Comprehensive, Open-Source, and Automated Workflow for Multisite λ-Dynamics in Lead Optimization
Renling Hu, Jintu Zhang, Yu Kang, et al.
Journal of Chemical Information and Modeling
|
October 26, 2023
Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets
Zhe Wang, Haiyang Zhong, Jintu Zhang, et al.
Journal of Cheminformatics
|
July 4, 2023
TB-IECS: an accurate machine learning-based scoring function for virtual screening
Xujun Zhang, Chao Shen, Dejun Jiang, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
May 27, 2024
Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm
Jintu Zhang, Odin Zhang, Luigi Bonati, et al.
Journal of Chemical Theory and Computation
|
February 11, 2026
Committors without Descriptors
Peilin Kang, Jintu Zhang, Enrico Trizio, et al.
Journal of Chemical Information and Modeling
|
February 15, 2023
Quasiclassical Trajectory Simulation as a Protocol to Build Locally Accurate Machine Learning Potentials
Jintu Zhang, Haotian Zhang, Zhixin Qin, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 9, 2019
Investigation of ECD conformational transition mechanism of GLP-1R by molecular dynamics simulations and Markov state model
Jintu Zhang, Qifeng Bai, Horacio Pérez-Sánchez, et al.
Chemical Reviews
|
October 22, 2025
Enhanced Sampling in the Age of Machine Learning: Algorithms and Applications
Kai Zhu, Enrico Trizio, Jintu Zhang, et al.
Journal of Chemical Theory and Computation
|
December 12, 2024
Descriptor-Free Collective Variables from Geometric Graph Neural Networks
Jintu Zhang, Luigi Bonati, Enrico Trizio, et al.
The Journal of Physical Chemistry Letters
|
January 26, 2023
Sigmoid Accelerated Molecular Dynamics: An Efficient Enhanced Sampling Method for Biosystems
Yihao Zhao, Jintu Zhang, Haotian Zhang, et al.
Journal of Chemical Theory and Computation
|
February 1, 2024
Comprehensive, Open-Source, and Automated Workflow for Multisite λ-Dynamics in Lead Optimization
Renling Hu, Jintu Zhang, Yu Kang, et al.
Journal of Chemical Information and Modeling
|
October 26, 2023
Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets
Zhe Wang, Haiyang Zhong, Jintu Zhang, et al.
Journal of Cheminformatics
|
July 4, 2023
TB-IECS: an accurate machine learning-based scoring function for virtual screening
Xujun Zhang, Chao Shen, Dejun Jiang, et al.
Page
of 2