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Nature Computational Science
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June 10, 2025
Memory kernel minimization-based neural networks for discovering slow collective variables of biomolecular dynamics
Bojun Liu, Siqin Cao, Jordan G Boysen, et al.
Journal of Chemical Theory and Computation
|
April 21, 2025
AMUSET-TICA: A Tensor-Based Approach for Identifying Slow Collective Variables in Biomolecular Dynamics
Siqin Cao, Feliks Nüske, Bojun Liu, et al.
The Journal of Physical Chemistry. B
|
June 10, 2008
Molecular dynamics study of the temperature-dependent Optical Kerr effect spectra and intermolecular dynamics of room temperature ionic liquid 1-methoxyethylpyridinium dicyanoamide
Zhonghan Hu, Xuhui Huang, Harsha V R Annapureddy, et al.
Journal of Chemical Theory and Computation
|
June 11, 2024
Information Bottleneck Approach for Markov Model Construction
Dedi Wang, Yunrui Qiu, Eric R Beyerle, et al.
The Journal of Chemical Physics
|
August 3, 2017
Path lumping: An efficient algorithm to identify metastable path channels for conformational dynamics of multi-body systems
Luming Meng, Fu Kit Sheong, Xiangze Zeng, et al.
Journal of Computational Chemistry
|
November 22, 2016
Adaptive partitioning by local density-peaks: An efficient density-based clustering algorithm for analyzing molecular dynamics trajectories
Song Liu, Lizhe Zhu, Fu Kit Sheong, et al.
Briefings in Bioinformatics
|
January 10, 2012
Multiscale modeling of macromolecular biosystems
Samuel C Flores, Julie Bernauer, Seokmin Shin, et al.
Journal of Chemical Theory and Computation
|
June 29, 2023
An Efficient Path Classification Algorithm Based on Variational Autoencoder to Identify Metastable Path Channels for Complex Conformational Changes
Yunrui Qiu, Michael S O'Connor, Mingyi Xue, et al.
Plos Computational Biology
|
June 4, 2011
A role for both conformational selection and induced fit in ligand binding by the LAO protein
Daniel-Adriano Silva, Gregory R Bowman, Alejandro Sosa-Peinado, et al.
Journal of Computational Chemistry
|
September 22, 2012
A fast parallel clustering algorithm for molecular simulation trajectories
Yutong Zhao, Fu Kit Sheong, Jian Sun, et al.
Page
of 27
Search research articles
Search
Showing results (71-80 of 268) with videos related to
Sort By:
Page
of 27
Nature Computational Science
|
June 10, 2025
Memory kernel minimization-based neural networks for discovering slow collective variables of biomolecular dynamics
Bojun Liu, Siqin Cao, Jordan G Boysen, et al.
Journal of Chemical Theory and Computation
|
April 21, 2025
AMUSET-TICA: A Tensor-Based Approach for Identifying Slow Collective Variables in Biomolecular Dynamics
Siqin Cao, Feliks Nüske, Bojun Liu, et al.
The Journal of Physical Chemistry. B
|
June 10, 2008
Molecular dynamics study of the temperature-dependent Optical Kerr effect spectra and intermolecular dynamics of room temperature ionic liquid 1-methoxyethylpyridinium dicyanoamide
Zhonghan Hu, Xuhui Huang, Harsha V R Annapureddy, et al.
Journal of Chemical Theory and Computation
|
June 11, 2024
Information Bottleneck Approach for Markov Model Construction
Dedi Wang, Yunrui Qiu, Eric R Beyerle, et al.
The Journal of Chemical Physics
|
August 3, 2017
Path lumping: An efficient algorithm to identify metastable path channels for conformational dynamics of multi-body systems
Luming Meng, Fu Kit Sheong, Xiangze Zeng, et al.
Journal of Computational Chemistry
|
November 22, 2016
Adaptive partitioning by local density-peaks: An efficient density-based clustering algorithm for analyzing molecular dynamics trajectories
Song Liu, Lizhe Zhu, Fu Kit Sheong, et al.
Briefings in Bioinformatics
|
January 10, 2012
Multiscale modeling of macromolecular biosystems
Samuel C Flores, Julie Bernauer, Seokmin Shin, et al.
Journal of Chemical Theory and Computation
|
June 29, 2023
An Efficient Path Classification Algorithm Based on Variational Autoencoder to Identify Metastable Path Channels for Complex Conformational Changes
Yunrui Qiu, Michael S O'Connor, Mingyi Xue, et al.
Plos Computational Biology
|
June 4, 2011
A role for both conformational selection and induced fit in ligand binding by the LAO protein
Daniel-Adriano Silva, Gregory R Bowman, Alejandro Sosa-Peinado, et al.
Journal of Computational Chemistry
|
September 22, 2012
A fast parallel clustering algorithm for molecular simulation trajectories
Yutong Zhao, Fu Kit Sheong, Jian Sun, et al.
Page
of 27