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Frontiers in Psychology|March 12, 2021
Exploring Computational Thinking Skills Training Through Augmented Reality and AIoT LearningYu-Shan Lin, Shih-Yeh Chen, Chia-Wei Tsai, et al.Protein Science : a Publication of the Protein Society|November 3, 2022
A backbone-dependent rotamer library with high (ϕ, ψ) coverage using metadynamics simulationsJennifer C Mortensen, Jovan Damjanovic, Jiayuan Miao, et al.Journal of Chemical Information and Modeling|February 3, 2025
Molecular Dynamics (MD)-Derived Features for Canonical and Noncanonical Amino AcidsTiffani Hui, Maxim Secor, Minh Ngoc Ho, et al.Nutritional Neuroscience|April 10, 2009
Anti-inflammatory effects of daidzein on primary astroglial cell cultureMan-Hai Liu, Yu-Shan Lin, Shiow-Yunn Sheu, 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 systemsLuming 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 trajectoriesSong Liu, Lizhe Zhu, Fu Kit Sheong, et al.Briefings in Bioinformatics|January 10, 2012
Multiscale modeling of macromolecular biosystemsSamuel 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 ChangesYunrui 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 proteinDaniel-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 trajectoriesYutong Zhao, Fu Kit Sheong, Jian Sun, et al.Pageof 40